 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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            ****
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                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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                  1.9656663360          -0.25019961976
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                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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                  2.5207180000          -1.0707548832
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                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
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                 12.000000000           -1.6510077975
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
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            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895310/Gau-208764.inp" -scrdir="/scratch/9895310/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    208765.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer01_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=Water)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=1,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=1,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 19:15:11 2022, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer01_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.632994000000      1.213805000000     -0.189593000000
  C                                                -1.664207000000      0.165932000000      0.192640000000
  C                                                 0.747477000000      0.789324000000      0.275911000000
  C                                                 1.073835000000     -0.615269000000     -0.234319000000
  O                                                 0.062867000000     -1.519861000000      0.205110000000
  C                                                -1.227523000000     -1.214479000000     -0.302233000000
  O                                                -0.910325000000      2.477331000000      0.403292000000
  H                                                -0.620015000000      1.309979000000     -1.282392000000
  O                                                -2.898906000000      0.560341000000     -0.386978000000
  H                                                -1.743574000000      0.128024000000      1.286763000000
  H                                                 0.760536000000      0.771719000000      1.372075000000
  O                                                 1.748963000000      1.683722000000     -0.206852000000
  C                                                 2.401424000000     -1.143704000000      0.296371000000
  H                                                 1.112049000000     -0.599228000000     -1.331481000000
  O                                                -2.107891000000     -2.218870000000      0.093600000000
  H                                                -1.216487000000     -1.234622000000     -1.397645000000
  H                                                -1.770848000000      2.775332000000      0.083917000000
  H                                                -3.580138000000     -0.065158000000     -0.111255000000
  H                                                 1.526149000000      2.572497000000      0.097811000000
  O                                                 3.514778000000     -0.460590000000     -0.262355000000
  H                                                 2.495071000000     -2.193790000000      0.019521000000
  H                                                 2.401774000000     -1.078340000000      1.391212000000
  H                                                -2.160260000000     -2.225046000000      1.059982000000
  H                                                 3.331786000000      0.488385000000     -0.187701000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Mar 16 19:15:11 2022, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.632994    1.213805   -0.189593
      2          6           0       -1.664207    0.165932    0.192640
      3          6           0        0.747477    0.789324    0.275911
      4          6           0        1.073835   -0.615269   -0.234319
      5          8           0        0.062867   -1.519861    0.205110
      6          6           0       -1.227523   -1.214479   -0.302233
      7          8           0       -0.910325    2.477331    0.403292
      8          1           0       -0.620015    1.309979   -1.282392
      9          8           0       -2.898906    0.560341   -0.386978
     10          1           0       -1.743574    0.128024    1.286763
     11          1           0        0.760536    0.771719    1.372075
     12          8           0        1.748963    1.683722   -0.206852
     13          6           0        2.401424   -1.143704    0.296371
     14          1           0        1.112049   -0.599228   -1.331481
     15          8           0       -2.107891   -2.218870    0.093600
     16          1           0       -1.216487   -1.234622   -1.397645
     17          1           0       -1.770848    2.775332    0.083917
     18          1           0       -3.580138   -0.065158   -0.111255
     19          1           0        1.526149    2.572497    0.097811
     20          8           0        3.514778   -0.460590   -0.262355
     21          1           0        2.495071   -2.193790    0.019521
     22          1           0        2.401774   -1.078340    1.391212
     23          1           0       -2.160260   -2.225046    1.059982
     24          1           0        3.331786    0.488385   -0.187701
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519059   0.000000
     3  C    1.517425   2.492343   0.000000
     4  C    2.502155   2.879139   1.529616   0.000000
     5  O    2.848323   2.413470   2.409572   1.425988   0.000000
     6  C    2.502542   1.530074   2.872299   2.379057   1.419775
     7  O    1.422998   2.440344   2.369367   3.729291   4.118728
     8  H    1.097100   2.138902   2.137621   2.770228   3.269095
     9  O    2.366502   1.419858   3.713215   4.145845   3.667412
    10  H    2.142880   1.097653   2.768479   3.286939   2.673710
    11  H    2.139199   2.763589   1.096383   2.145319   2.664562
    12  O    2.427929   3.756729   1.426878   2.396229   3.643566
    13  C    3.873203   4.272618   2.544122   1.524260   2.370374
    14  H    2.763362   3.258222   2.155156   1.097944   2.075924
    15  O    3.746836   2.427745   4.151577   3.578051   2.283252
    16  H    2.791890   2.165874   3.279375   2.642442   2.070491
    17  H    1.951381   2.613840   3.212950   4.437304   4.671818
    18  H    3.213649   1.953598   4.428125   4.687988   3.935446
    19  H    2.567205   3.997364   1.953908   3.236781   4.347425
    20  O    4.473579   5.236548   3.083824   2.446000   3.640916
    21  H    4.630359   4.785170   3.466813   2.139176   2.530660
    22  H    4.118579   4.417804   2.732904   2.149467   2.659373
    23  H    3.964805   2.591356   4.261001   3.837443   2.484026
    24  H    4.030598   5.020815   2.642755   2.513676   3.856577
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.771981   0.000000
     8  H    2.775368   2.070874   0.000000
     9  O    2.439403   2.872948   2.560677   0.000000
    10  H    2.143252   2.644630   3.043018   2.079206   0.000000
    11  H    3.271188   2.576709   3.040039   4.065767   2.586926
    12  O    4.155495   2.841462   2.628408   4.785093   4.104741
    13  C    3.678667   4.908259   4.200256   5.609299   4.447379
    14  H    2.628970   4.069969   2.578280   4.280706   3.941913
    15  O    1.393030   4.856375   4.069386   2.929279   2.657871
    16  H    1.095653   4.137113   2.616115   2.659675   3.056251
    17  H    4.045109   0.965041   2.310514   2.529910   2.907890
    18  H    2.625302   3.722487   3.467693   0.965064   2.316191
    19  H    4.699354   2.457393   2.846916   4.885172   4.252075
    20  O    4.802016   5.353130   4.612147   6.495627   5.513302
    21  H    3.862678   5.793391   4.865710   6.070047   4.996282
    22  H    4.007254   4.958708   4.688650   5.826186   4.318580
    23  H    1.935684   4.909779   4.511704   3.224542   2.400416
    24  H    4.868281   4.722360   4.182116   6.234293   5.297470
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.074066   0.000000
    13  C    2.741988   2.945043   0.000000
    14  H    3.051602   2.623416   2.146822   0.000000
    15  O    4.336588   5.495072   4.640153   3.875837   0.000000
    16  H    3.950364   4.327657   3.995902   2.414577   1.996787
    17  H    3.475877   3.696651   5.728161   4.658551   5.005571
    18  H    4.662841   5.609549   6.091675   4.877581   2.616859
    19  H    2.335105   0.965602   3.823046   3.503455   6.013606
    20  O    3.431588   2.778355   1.420696   2.633507   5.901920
    21  H    3.692189   3.955126   1.089998   2.506109   4.603626
    22  H    2.473206   3.257139   1.096790   3.050573   4.829253
    23  H    4.196314   5.671451   4.749880   4.366965   0.967820
    24  H    3.020680   1.983564   1.940004   2.723668   6.082635
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.310693   0.000000
    18  H    2.934159   3.373426   0.000000
    19  H    4.924692   3.303260   5.751095   0.000000
    20  O    4.926751   6.207168   7.107533   3.644720   0.000000
    21  H    4.087056   6.549381   6.438660   4.864404   2.030576
    22  H    4.570991   5.828429   6.250377   3.970921   2.086786
    23  H    2.812753   5.109611   2.837775   6.126321   6.088344
    24  H    5.011936   5.598283   6.934475   2.772249   0.969336
                   21         22         23         24
    21  H    0.000000
    22  H    1.770443   0.000000
    23  H    4.770287   4.715591   0.000000
    24  H    2.817285   2.410916   6.251559   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.96D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.632994    1.213805   -0.189593
      2          6           0       -1.664207    0.165932    0.192640
      3          6           0        0.747477    0.789324    0.275911
      4          6           0        1.073835   -0.615269   -0.234319
      5          8           0        0.062867   -1.519861    0.205110
      6          6           0       -1.227523   -1.214479   -0.302233
      7          8           0       -0.910325    2.477331    0.403292
      8          1           0       -0.620015    1.309979   -1.282392
      9          8           0       -2.898906    0.560341   -0.386978
     10          1           0       -1.743574    0.128024    1.286763
     11          1           0        0.760536    0.771719    1.372075
     12          8           0        1.748963    1.683722   -0.206852
     13          6           0        2.401424   -1.143704    0.296371
     14          1           0        1.112049   -0.599228   -1.331481
     15          8           0       -2.107891   -2.218870    0.093600
     16          1           0       -1.216487   -1.234622   -1.397645
     17          1           0       -1.770848    2.775332    0.083917
     18          1           0       -3.580138   -0.065158   -0.111255
     19          1           0        1.526149    2.572497    0.097811
     20          8           0        3.514778   -0.460590   -0.262355
     21          1           0        2.495071   -2.193790    0.019521
     22          1           0        2.401774   -1.078340    1.391212
     23          1           0       -2.160260   -2.225046    1.059982
     24          1           0        3.331786    0.488385   -0.187701
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3117231           0.7338256           0.4928837
 Leave Link  202 at Wed Mar 16 19:15:12 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   378 symmetry adapted cartesian basis functions of A   symmetry.
 There are   354 symmetry adapted basis functions of A   symmetry.
   354 basis functions,   522 primitive gaussians,   378 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       827.1670932219 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0395987058 Hartrees.
 Nuclear repulsion after empirical dispersion term =      827.1274945161 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   24.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : Water, Eps=  78.355300 Eps(inf)=   1.777849
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      24
 GePol: Total number of spheres                      =      24
 GePol: Number of exposed spheres                    =      24 (100.00%)
 GePol: Number of points                             =    1678
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.89D-09
 GePol: Maximum weight of points                     =    0.20299
 GePol: Number of points with low weight             =     104
 GePol: Fraction of low-weight points (<1% of avg)   =       6.20%
 GePol: Cavity surface area                          =    225.228 Ang**2
 GePol: Cavity volume                                =    233.174 Ang**3
 Leave Link  301 at Wed Mar 16 19:15:12 2022, MaxMem=  5368709120 cpu:               3.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   354 RedAO= T EigKep=  2.70D-05  NBF=   354
 NBsUse=   354 1.00D-06 EigRej= -1.00D+00 NBFU=   354
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   378   378   378   378   378 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Wed Mar 16 19:15:13 2022, MaxMem=  5368709120 cpu:               5.8 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 19:15:14 2022, MaxMem=  5368709120 cpu:               2.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer01_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 19:15:16 2022, MaxMem=  5368709120 cpu:              12.9 elap:               1.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368416640 LenY=  5368273315
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8447052.
 Iteration    1 A*A^-1 deviation from unit magnitude is 5.44D-15 for   1673.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.58D-15 for    392     80.
 Iteration    1 A^-1*A deviation from unit magnitude is 5.44D-15 for   1673.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.02D-15 for   1141    507.
 E= -686.777384598128    
 DIIS: error= 2.55D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.777384598128     IErMin= 1 ErrMin= 2.55D-03
 ErrMax= 2.55D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-02 BMatP= 1.64D-02
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.55D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.294 Goal=   None    Shift=    0.000
 GapD=    0.294 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.93D-03 MaxDP=2.75D-01              OVMax= 2.25D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.89D-03    CP:  1.04D+00
 E= -686.792517021267     Delta-E=       -0.015132423139 Rises=F Damp=F
 DIIS: error= 7.27D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -686.792517021267     IErMin= 2 ErrMin= 7.27D-04
 ErrMax= 7.27D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-03 BMatP= 1.64D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.27D-03
 Coeff-Com:  0.954D-01 0.905D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.947D-01 0.905D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=3.30D-04 MaxDP=1.47D-02 DE=-1.51D-02 OVMax= 7.86D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.80D-04    CP:  1.04D+00  1.03D+00
 E= -686.792183797954     Delta-E=        0.000333223313 Rises=F Damp=F
 DIIS: error= 9.68D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -686.792517021267     IErMin= 2 ErrMin= 7.27D-04
 ErrMax= 9.68D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-03 BMatP= 1.26D-03
 IDIUse=3 WtCom= 2.43D-01 WtEn= 7.57D-01
 Coeff-Com: -0.188D-01 0.553D+00 0.466D+00
 Coeff-En:   0.000D+00 0.565D+00 0.435D+00
 Coeff:     -0.458D-02 0.562D+00 0.443D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=1.56D-04 MaxDP=8.56D-03 DE= 3.33D-04 OVMax= 4.52D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.20D-04    CP:  1.04D+00  1.04D+00  7.11D-01
 E= -686.793492437775     Delta-E=       -0.001308639821 Rises=F Damp=F
 DIIS: error= 1.15D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -686.793492437775     IErMin= 4 ErrMin= 1.15D-04
 ErrMax= 1.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-05 BMatP= 1.26D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.15D-03
 Coeff-Com: -0.118D-01 0.264D+00 0.224D+00 0.524D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.118D-01 0.264D+00 0.224D+00 0.524D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=3.71D-05 MaxDP=1.40D-03 DE=-1.31D-03 OVMax= 5.94D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.45D-05    CP:  1.04D+00  1.04D+00  7.01D-01  9.54D-01
 E= -686.793509798703     Delta-E=       -0.000017360929 Rises=F Damp=F
 DIIS: error= 2.37D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -686.793509798703     IErMin= 5 ErrMin= 2.37D-05
 ErrMax= 2.37D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.47D-07 BMatP= 1.87D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.124D-02 0.120D-01 0.117D-01 0.146D+00 0.831D+00
 Coeff:     -0.124D-02 0.120D-01 0.117D-01 0.146D+00 0.831D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=8.06D-06 MaxDP=3.11D-04 DE=-1.74D-05 OVMax= 1.34D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.78D-06    CP:  1.04D+00  1.04D+00  7.16D-01  9.87D-01  9.37D-01
 E= -686.793510335933     Delta-E=       -0.000000537229 Rises=F Damp=F
 DIIS: error= 7.53D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -686.793510335933     IErMin= 6 ErrMin= 7.53D-06
 ErrMax= 7.53D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.04D-08 BMatP= 5.47D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.771D-04-0.515D-02-0.365D-02 0.406D-01 0.370D+00 0.598D+00
 Coeff:     -0.771D-04-0.515D-02-0.365D-02 0.406D-01 0.370D+00 0.598D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.93D-06 MaxDP=6.51D-05 DE=-5.37D-07 OVMax= 4.52D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.39D-06    CP:  1.04D+00  1.04D+00  7.16D-01  9.91D-01  9.55D-01
                    CP:  7.89D-01
 E= -686.793510383746     Delta-E=       -0.000000047814 Rises=F Damp=F
 DIIS: error= 2.82D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -686.793510383746     IErMin= 7 ErrMin= 2.82D-06
 ErrMax= 2.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-08 BMatP= 7.04D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-03-0.439D-02-0.357D-02 0.283D-02 0.102D+00 0.336D+00
 Coeff-Com:  0.567D+00
 Coeff:      0.124D-03-0.439D-02-0.357D-02 0.283D-02 0.102D+00 0.336D+00
 Coeff:      0.567D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=5.88D-07 MaxDP=2.52D-05 DE=-4.78D-08 OVMax= 1.43D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.83D-07    CP:  1.04D+00  1.04D+00  7.16D-01  9.92D-01  9.61D-01
                    CP:  8.07D-01  8.83D-01
 E= -686.793510393563     Delta-E=       -0.000000009816 Rises=F Damp=F
 DIIS: error= 5.11D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -686.793510393563     IErMin= 8 ErrMin= 5.11D-07
 ErrMax= 5.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.63D-10 BMatP= 1.35D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.528D-04-0.155D-02-0.131D-02-0.960D-03 0.249D-01 0.117D+00
 Coeff-Com:  0.250D+00 0.611D+00
 Coeff:      0.528D-04-0.155D-02-0.131D-02-0.960D-03 0.249D-01 0.117D+00
 Coeff:      0.250D+00 0.611D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.66D-07 MaxDP=4.99D-06 DE=-9.82D-09 OVMax= 4.06D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.37D-07    CP:  1.04D+00  1.04D+00  7.16D-01  9.92D-01  9.60D-01
                    CP:  8.19D-01  8.77D-01  9.09D-01
 E= -686.793510393936     Delta-E=       -0.000000000374 Rises=F Damp=F
 DIIS: error= 1.62D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -686.793510393936     IErMin= 9 ErrMin= 1.62D-07
 ErrMax= 1.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.79D-11 BMatP= 4.63D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.794D-05-0.117D-03-0.124D-03-0.927D-03-0.269D-02 0.767D-02
 Coeff-Com:  0.377D-01 0.290D+00 0.669D+00
 Coeff:      0.794D-05-0.117D-03-0.124D-03-0.927D-03-0.269D-02 0.767D-02
 Coeff:      0.377D-01 0.290D+00 0.669D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=5.21D-08 MaxDP=1.54D-06 DE=-3.74D-10 OVMax= 1.25D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.09D-08    CP:  1.04D+00  1.04D+00  7.16D-01  9.92D-01  9.60D-01
                    CP:  8.22D-01  8.86D-01  9.21D-01  8.27D-01
 E= -686.793510393954     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 3.98D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -686.793510393954     IErMin=10 ErrMin= 3.98D-08
 ErrMax= 3.98D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.11D-12 BMatP= 5.79D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.119D-05 0.201D-04 0.667D-05-0.421D-03-0.262D-02-0.201D-02
 Coeff-Com:  0.629D-02 0.113D+00 0.328D+00 0.558D+00
 Coeff:      0.119D-05 0.201D-04 0.667D-05-0.421D-03-0.262D-02-0.201D-02
 Coeff:      0.629D-02 0.113D+00 0.328D+00 0.558D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.36D-08 MaxDP=4.48D-07 DE=-1.73D-11 OVMax= 3.30D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.78D-09    CP:  1.04D+00  1.04D+00  7.16D-01  9.92D-01  9.60D-01
                    CP:  8.21D-01  8.89D-01  9.26D-01  8.38D-01  8.76D-01
 E= -686.793510393925     Delta-E=        0.000000000028 Rises=F Damp=F
 DIIS: error= 1.56D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -686.793510393954     IErMin=11 ErrMin= 1.56D-08
 ErrMax= 1.56D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.65D-13 BMatP= 4.11D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.223D-06 0.237D-04 0.183D-04-0.116D-03-0.106D-02-0.201D-02
 Coeff-Com: -0.136D-02 0.246D-01 0.936D-01 0.320D+00 0.566D+00
 Coeff:     -0.223D-06 0.237D-04 0.183D-04-0.116D-03-0.106D-02-0.201D-02
 Coeff:     -0.136D-02 0.246D-01 0.936D-01 0.320D+00 0.566D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=4.58D-09 MaxDP=2.13D-07 DE= 2.82D-11 OVMax= 1.05D-07

 Error on total polarization charges =  0.01596
 SCF Done:  E(RB3LYP) =  -686.793510394     A.U. after   11 cycles
            NFock= 11  Conv=0.46D-08     -V/T= 2.0094
 KE= 6.803931053677D+02 PE=-3.262520191144D+03 EE= 1.068206080867D+03
 Leave Link  502 at Wed Mar 16 19:17:04 2022, MaxMem=  5368709120 cpu:             844.8 elap:             107.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   354
 NBasis=   354 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    354 NOA=    48 NOB=    48 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.32867957D+02

 Leave Link  801 at Wed Mar 16 19:17:04 2022, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=  78.3553, EpsInf=   1.7778)
 Inv3:  Mode=1 IEnd=     8447052.
 Iteration    1 A*A^-1 deviation from unit magnitude is 5.44D-15 for   1673.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.58D-15 for    392     80.
 Iteration    1 A^-1*A deviation from unit magnitude is 5.44D-15 for   1673.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.02D-15 for   1141    507.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7293 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.45D-13 8.33D-09 XBig12= 1.00D+00 1.93D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.45D-13 8.33D-09 XBig12= 1.74D-01 4.82D-02.
     11 vectors produced by pass  2 Test12= 2.45D-13 8.33D-09 XBig12= 4.12D-02 2.77D-02.
     11 vectors produced by pass  3 Test12= 2.45D-13 8.33D-09 XBig12= 3.45D-03 9.24D-03.
     11 vectors produced by pass  4 Test12= 2.45D-13 8.33D-09 XBig12= 5.83D-04 3.30D-03.
     11 vectors produced by pass  5 Test12= 2.45D-13 8.33D-09 XBig12= 2.24D-05 5.93D-04.
     11 vectors produced by pass  6 Test12= 2.45D-13 8.33D-09 XBig12= 3.95D-07 7.54D-05.
     11 vectors produced by pass  7 Test12= 2.45D-13 8.33D-09 XBig12= 8.76D-09 9.14D-06.
     11 vectors produced by pass  8 Test12= 2.45D-13 8.33D-09 XBig12= 1.73D-10 1.18D-06.
      9 vectors produced by pass  9 Test12= 2.45D-13 8.33D-09 XBig12= 2.35D-12 1.63D-07.
      2 vectors produced by pass 10 Test12= 2.45D-13 8.33D-09 XBig12= 2.52D-14 1.85D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.125098D+03
      2  0.139369D+01  0.113614D+03
      3 -0.682774D+00 -0.166624D+01  0.970024D+02
 Isotropic polarizability for W=    0.088559      111.90 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.322966D+02 -0.106207D+02 -0.170980D+02
      2  -0.255959D+02  0.107778D+02  0.133922D+02
      3  -0.670069D+01 -0.157163D+00  0.370575D+01
      4  -0.213626D+02 -0.581391D+01 -0.113829D+01
      5  -0.104583D+02 -0.308913D+01  0.879590D+01
      6   0.220653D+00  0.129972D+02 -0.112813D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.194433D+01 -0.485807D+01  0.639339D+01
      2  -0.346342D+01 -0.383938D+00  0.542368D+01
      3  -0.777153D+01 -0.126571D+02  0.189849D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.195083D+01 -0.395000D+00  0.111241D+02
      2  -0.663972D+01 -0.135895D+01  0.154966D+02
      3  -0.107419D+02 -0.197820D+02  0.330978D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.269567D+00  0.120103D+01  0.392305D+00
      2   0.120103D+01 -0.362657D+00  0.127268D+01
      3   0.392305D+00  0.127268D+01 -0.336688D+00
 OR G Eigenvalues:    -1.8263    -0.4061     1.8026  Iso=     0.1433
 Eigenvectors:
   (1)  -0.329779   0.758895  -0.561537
   (2)   0.717916  -0.184668  -0.671189
   (3)   0.613060   0.624480   0.483923
 w=    0.088559 a.u., Optical Rotation Beta=      0.1433 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       40.32 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   62835 ScalPx= 3.36D+01
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     196
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.13D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.08D-14 2.78D-09 XBig12= 1.00D+00 3.55D-01.
     30 vectors produced by pass  1 Test12= 4.08D-14 2.78D-09 XBig12= 1.83D-01 3.66D-02.
     30 vectors produced by pass  2 Test12= 4.08D-14 2.78D-09 XBig12= 2.63D-03 5.58D-03.
     30 vectors produced by pass  3 Test12= 4.08D-14 2.78D-09 XBig12= 3.26D-05 5.03D-04.
     30 vectors produced by pass  4 Test12= 4.08D-14 2.78D-09 XBig12= 3.08D-07 4.39D-05.
     30 vectors produced by pass  5 Test12= 4.08D-14 2.78D-09 XBig12= 1.19D-09 2.93D-06.
     30 vectors produced by pass  6 Test12= 4.08D-14 2.78D-09 XBig12= 3.97D-12 1.41D-07.
     12 vectors produced by pass  7 Test12= 4.08D-14 2.78D-09 XBig12= 1.12D-14 8.69D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   222 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.47D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.47D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.06D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.125098D+03  0.139369D+01 -0.682774D+00
      2   0.139369D+01  0.113614D+03 -0.166624D+01
      3  -0.682774D+00 -0.166624D+01  0.970024D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.194433D+01 -0.485807D+01  0.639339D+01
      2  -0.346342D+01 -0.383938D+00  0.542368D+01
      3  -0.777153D+01 -0.126571D+02  0.189849D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.322966D+02 -0.106207D+02 -0.170980D+02
      2  -0.255959D+02  0.107778D+02  0.133922D+02
      3  -0.670069D+01 -0.157163D+00  0.370575D+01
      4  -0.213626D+02 -0.581391D+01 -0.113829D+01
      5  -0.104583D+02 -0.308913D+01  0.879590D+01
      6   0.220653D+00  0.129972D+02 -0.112813D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.330957D+01  0.261655D+01 -0.837900D+00  0.176048D+01  0.263324D+01
      2   0.261655D+01  0.265472D+01  0.276613D+00  0.263324D+01 -0.444444D+01
      3  -0.837900D+00  0.276613D+00 -0.671625D+00  0.388884D+00 -0.144632D+01
                 6             7             8             9            10 
      1   0.388884D+00 -0.118566D+01  0.664435D+00 -0.436014D+00  0.415669D+01
      2  -0.144632D+01  0.664435D+00 -0.275251D+01 -0.116084D+01 -0.243567D+01
      3   0.559182D+00 -0.436014D+00 -0.116084D+01  0.109325D+02  0.144380D+01
                11            12            13            14            15 
      1  -0.243567D+01  0.144380D+01 -0.332786D+01 -0.259623D+01 -0.681643D+00
      2  -0.167435D+01 -0.332291D+00 -0.259623D+01  0.208451D+01  0.856717D+00
      3  -0.332291D+00 -0.912959D+00 -0.681643D+00  0.856717D+00  0.135742D+01
                16            17            18            19            20 
      1   0.253548D+01 -0.112223D+01  0.886134D+00  0.151008D+01 -0.290248D+01
      2  -0.112223D+01  0.130955D+01  0.513626D+00 -0.290248D+01 -0.240091D+01
      3   0.886134D+00  0.513626D+00 -0.110451D+02  0.106191D+01  0.341175D+00
                21            22            23            24            25 
      1   0.106191D+01 -0.435837D+01 -0.353242D+01  0.190362D+00  0.225351D+01
      2   0.341175D+00 -0.353242D+01  0.289226D+01  0.116377D+01  0.410548D+00
      3   0.834433D+00  0.190362D+00  0.116377D+01  0.144801D+01 -0.168074D+00
                26            27            28            29            30 
      1   0.410548D+00 -0.168074D+00  0.478092D+00  0.409757D+01 -0.119394D+01
      2   0.227478D+01  0.474169D+00  0.409757D+01  0.212770D+01 -0.664386D-01
      3   0.474169D+00 -0.106676D+02 -0.119394D+01 -0.664386D-01 -0.109912D+01
                31            32            33            34            35 
      1   0.439806D+01  0.330870D+01  0.142215D+00 -0.177790D+01  0.226417D+00
      2   0.330870D+01 -0.406961D+01 -0.110048D+01  0.226417D+00 -0.220372D+01
      3   0.142215D+00 -0.110048D+01 -0.921182D+00 -0.729771D+00  0.870501D-01
                36            37            38            39            40 
      1  -0.729771D+00  0.279749D+01 -0.359948D+01  0.606671D+00 -0.507188D+01
      2   0.870501D-01 -0.359948D+01 -0.332244D+00 -0.684084D+00 -0.117331D+01
      3   0.112157D+02  0.606671D+00 -0.684084D+00  0.141209D+00 -0.195649D+00
                41            42            43            44            45 
      1  -0.117331D+01 -0.195649D+00  0.387148D+01  0.308157D+00  0.266739D+00
      2  -0.411798D+01  0.121349D+01  0.308157D+00  0.182629D+01 -0.115373D+01
      3   0.121349D+01  0.851941D+00  0.266739D+00 -0.115373D+01 -0.134915D+01
                46            47            48            49            50 
      1  -0.517239D+01  0.767799D+00 -0.174232D+00  0.378304D+01  0.254457D+01
      2   0.767799D+00  0.181446D+01  0.119396D+01  0.254457D+01 -0.184815D+01
      3  -0.174232D+00  0.119396D+01 -0.838062D+00  0.269813D+00 -0.624481D+00
                51            52            53            54            55 
      1   0.269813D+00 -0.238436D+01  0.366830D+00  0.145740D+00  0.473533D+01
      2  -0.624481D+00  0.366830D+00 -0.209587D+01  0.437224D+00 -0.100452D+01
      3  -0.250879D+01  0.145740D+00  0.437224D+00  0.108881D+02  0.181796D+01
                56            57            58            59            60 
      1  -0.100452D+01  0.181796D+01 -0.628625D+00  0.127814D+00 -0.444698D+00
      2   0.222322D+01 -0.346411D+00  0.127814D+00  0.893305D+01  0.173149D+01
      3  -0.346411D+00  0.118310D+01 -0.444698D+00  0.173149D+01 -0.667383D+00
                61            62            63            64            65 
      1   0.271690D+01 -0.134799D+01  0.776973D-01  0.555781D+00 -0.433453D+00
      2  -0.134799D+01  0.417308D+01  0.201301D+01 -0.433453D+00 -0.438998D+00
      3   0.776973D-01  0.201301D+01  0.379540D+00 -0.107583D+01 -0.271495D-01
                66            67            68            69            70 
      1  -0.107583D+01 -0.172811D+00 -0.410765D+00  0.859665D-02 -0.211520D+01
      2  -0.271495D-01 -0.410765D+00  0.105111D+01 -0.124393D+01  0.923386D-01
      3   0.269085D+00  0.859665D-02 -0.124393D+01  0.669982D+00 -0.199773D-01
                71            72            73            74            75 
      1   0.923386D-01 -0.199773D-01 -0.402245D+01  0.410360D+01 -0.188347D+01
      2  -0.220338D+01  0.114642D+01  0.410360D+01  0.829522D+00 -0.357452D+00
      3   0.114642D+01 -0.950650D+01 -0.188347D+01 -0.357452D+00  0.138798D+01
                76            77            78            79            80 
      1   0.719689D+01 -0.715350D+00  0.304970D-01 -0.479629D+01  0.549872D-03
      2  -0.715350D+00  0.346996D+01 -0.130654D+01  0.549872D-03 -0.171319D+01
      3   0.304970D-01 -0.130654D+01  0.613356D+00 -0.178247D+01  0.668567D+00
                81            82            83            84            85 
      1  -0.178247D+01 -0.901107D+00  0.465772D+00  0.122894D+01  0.429534D+00
      2   0.668567D+00  0.465772D+00  0.282880D+00  0.681402D-01  0.303210D+00
      3  -0.467773D+00  0.122894D+01  0.681402D-01 -0.445688D+00  0.848133D-01
                86            87            88            89            90 
      1   0.303210D+00  0.848133D-01  0.229036D+01  0.168496D+00 -0.102805D+01
      2  -0.569457D+00  0.118638D+01  0.168496D+00  0.196436D+01 -0.282557D+00
      3   0.118638D+01 -0.535904D+00 -0.102805D+01 -0.282557D+00  0.954283D+01
                91            92            93            94            95 
      1  -0.229016D+00  0.322170D+00  0.118962D+01  0.495539D+00  0.566859D+00
      2   0.322170D+00  0.586403D+00  0.527945D-01  0.566859D+00 -0.447824D+00
      3   0.118962D+01  0.527945D-01  0.747900D-01  0.720168D-01  0.102245D+01
                96            97            98            99           100 
      1   0.720168D-01  0.219214D+01 -0.493971D-01  0.480621D+00  0.702811D+01
      2   0.102245D+01 -0.493971D-01  0.202966D+01  0.267239D+00  0.254017D+01
      3  -0.322622D+00  0.480621D+00  0.267239D+00  0.947231D+01 -0.104390D+01
               101           102           103           104           105 
      1   0.254017D+01 -0.104390D+01  0.104946D+01  0.344762D+01  0.138860D+00
      2   0.362004D+01  0.181251D+00  0.344762D+01 -0.355623D+01 -0.172536D+01
      3   0.181251D+00 -0.402694D+00  0.138860D+00 -0.172536D+01 -0.143845D+01
               106           107           108           109           110 
      1  -0.250694D+01 -0.693322D+00  0.143966D+01  0.317700D+00 -0.368207D+01
      2  -0.693322D+00 -0.346196D+01  0.610918D+00 -0.368207D+01  0.510813D+00
      3   0.143966D+01  0.610918D+00 -0.279712D+00  0.206905D+01 -0.564419D+00
               111           112           113           114           115 
      1   0.206905D+01 -0.391146D+01 -0.243112D+01  0.522210D-01  0.364367D+01
      2  -0.564419D+00 -0.243112D+01  0.851554D+01  0.175711D+01 -0.426087D-01
      3   0.144038D+01  0.522210D-01  0.175711D+01 -0.284698D+00 -0.268323D+00
               116           117           118           119           120 
      1  -0.426087D-01 -0.268323D+00  0.909897D+00 -0.698882D+00 -0.131535D+01
      2   0.205966D+01  0.139341D+01 -0.698882D+00 -0.134097D+00 -0.645173D-01
      3   0.139341D+01 -0.989818D+01 -0.131535D+01 -0.645173D-01  0.823716D+00
               121           122           123           124           125 
      1  -0.787595D+00 -0.148282D+00 -0.109563D+00 -0.286388D+01 -0.187611D+00
      2  -0.148282D+00  0.321518D+00 -0.111558D+01 -0.187611D+00 -0.163853D+01
      3  -0.109563D+00 -0.111558D+01 -0.162418D+00  0.120445D+01 -0.538481D+00
               126           127           128           129           130 
      1   0.120445D+01 -0.437985D+01 -0.267914D+01 -0.156887D+00 -0.314428D+01
      2  -0.538481D+00 -0.267914D+01 -0.259768D+01 -0.486183D+00 -0.328287D+01
      3  -0.977146D+01 -0.156887D+00 -0.486183D+00  0.127567D+01 -0.509703D+00
               131           132           133           134           135 
      1  -0.328287D+01 -0.509703D+00 -0.859078D+00 -0.105703D+01  0.740581D+00
      2  -0.668021D+01 -0.220904D+00 -0.105703D+01 -0.163493D+01  0.446247D+00
      3  -0.220904D+00  0.968363D+00  0.740581D+00  0.446247D+00 -0.702196D+01
               136           137           138           139           140 
      1   0.114319D+00 -0.437623D+00 -0.134220D+01 -0.603567D+00 -0.646715D+00
      2  -0.437623D+00 -0.453317D+00 -0.134386D+00 -0.646715D+00 -0.340392D+00
      3  -0.134220D+01 -0.134386D+00 -0.181586D+00  0.999823D-01 -0.111237D+01
               141           142           143           144           145 
      1   0.999823D-01 -0.263580D+01 -0.381205D+00 -0.113341D+01 -0.618602D+01
      2  -0.111237D+01 -0.381205D+00 -0.174221D+01 -0.144832D+01  0.343741D+01
      3  -0.281468D+00 -0.113341D+01 -0.144832D+01 -0.975841D+01 -0.791311D+00
               146           147           148           149           150 
      1   0.343741D+01 -0.791311D+00  0.278597D+01 -0.214952D+01  0.223848D+00
      2  -0.435565D+01  0.184851D+00 -0.214952D+01  0.300322D+01 -0.291110D+00
      3   0.184851D+00 -0.145629D+01  0.223848D+00 -0.291110D+00  0.104198D+01
               151           152           153           154           155 
      1  -0.172557D+01  0.913240D+00 -0.768582D+00 -0.809506D+01 -0.229589D+01
      2   0.913240D+00 -0.134058D+01  0.653699D+00 -0.229589D+01 -0.230217D+01
      3  -0.768582D+00  0.653699D+00 -0.225491D+00  0.391525D+00  0.279129D+00
               156           157           158           159           160 
      1   0.391525D+00 -0.485363D+01 -0.177190D+01  0.213367D+00  0.197452D+01
      2   0.279129D+00 -0.177190D+01 -0.218777D+01  0.428810D+00  0.603872D+00
      3  -0.151032D+01  0.213367D+00  0.428810D+00 -0.756672D+00 -0.874920D+00
               161           162           163           164           165 
      1   0.603872D+00 -0.874920D+00 -0.316156D+00  0.601526D+00  0.237113D+00
      2   0.717933D+00 -0.278613D+00  0.601526D+00 -0.690142D+00 -0.127661D+00
      3  -0.278613D+00  0.125633D+00  0.237113D+00 -0.127661D+00  0.172288D+00
               166           167           168           169           170 
      1   0.263506D+01  0.899813D+00 -0.115095D+00  0.804759D+00  0.436594D-01
      2   0.899813D+00  0.962997D+01  0.972172D+00  0.436594D-01  0.231306D+01
      3  -0.115095D+00  0.972172D+00  0.166733D+01  0.134197D+00  0.100257D+01
               171           172           173           174           175 
      1   0.134197D+00  0.104130D+02  0.117284D+01 -0.156019D+01 -0.317367D-02
      2   0.100257D+01  0.117284D+01  0.130534D+01  0.274262D+00  0.373218D+01
      3   0.321020D+00 -0.156019D+01  0.274262D+00 -0.430367D-01  0.174458D+00
               176           177           178           179           180 
      1   0.373218D+01  0.174458D+00 -0.332809D+01 -0.244598D+00  0.213833D+01
      2  -0.571159D+01 -0.672130D+00 -0.244598D+00 -0.841354D+00  0.120187D+00
      3  -0.672130D+00 -0.117272D+01  0.213833D+01  0.120187D+00 -0.685632D+00
               181           182           183           184           185 
      1   0.763122D+00 -0.120351D+01 -0.669362D+00 -0.251076D+01  0.256022D+01
      2  -0.120351D+01  0.688599D+00  0.128675D+00  0.256022D+01 -0.109382D+02
      3  -0.669362D+00  0.128675D+00  0.252107D+00  0.156445D+00 -0.108670D+01
               186           187           188           189           190 
      1   0.156445D+00 -0.142783D+01  0.498482D+00  0.484383D+00  0.261014D-02
      2  -0.108670D+01  0.498482D+00 -0.219160D+01 -0.143624D+01  0.328432D+00
      3  -0.119713D+01  0.484383D+00 -0.143624D+01  0.115479D+00  0.121698D+01
               191           192           193           194           195 
      1   0.328432D+00  0.121698D+01  0.950742D+00  0.249312D+00 -0.242790D-01
      2   0.170035D-01  0.706424D-01  0.249312D+00 -0.994407D+00  0.101575D+01
      3   0.706424D-01 -0.251489D+00 -0.242790D-01  0.101575D+01  0.371806D+00
               196           197           198           199           200 
      1   0.236483D+01 -0.185868D+00  0.941016D+00 -0.107632D+01 -0.477775D+00
      2  -0.185868D+00  0.167358D+01 -0.149497D+01 -0.477775D+00 -0.544828D+00
      3   0.941016D+00 -0.149497D+01  0.104276D+02  0.683017D+00  0.262945D+00
               201           202           203           204           205 
      1   0.683017D+00 -0.400101D+00 -0.250532D+00  0.143235D+00  0.259330D+01
      2   0.262945D+00 -0.250532D+00 -0.891868D+00  0.584346D+00  0.123405D+01
      3  -0.715566D+00  0.143235D+00  0.584346D+00 -0.666040D+00 -0.205295D+01
               206           207           208           209           210 
      1   0.123405D+01 -0.205295D+01 -0.942460D-01  0.139665D+01  0.979991D-01
      2   0.301957D+01 -0.225840D+01  0.139665D+01 -0.736307D+00 -0.123445D+00
      3  -0.225840D+01  0.743135D+01  0.979991D-01 -0.123445D+00  0.673664D+00
               211           212           213           214           215 
      1   0.428935D+01 -0.126452D+01 -0.308984D+00  0.365641D+00 -0.219214D+00
      2  -0.126452D+01  0.689703D+01  0.134365D-01 -0.219214D+00  0.458333D+00
      3  -0.308984D+00  0.134365D-01  0.136611D+01  0.322982D+00  0.217796D+00
               216 
      1   0.322982D+00
      2   0.217796D+00
      3  -0.175188D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.108405D+01  0.294167D-01 -0.633576D+00 -0.170102D+01  0.207867D+01
      2   0.929732D+00 -0.192697D+00  0.164204D+01  0.901235D+00  0.181384D+01
      3  -0.128785D+01  0.634460D+00 -0.759650D+00  0.580401D+01 -0.774862D+00
                 6             7             8             9            10 
      1   0.154711D+01  0.673343D+00  0.452612D+01 -0.963403D+01 -0.732023D+00
      2   0.461337D+00 -0.269009D+01  0.141035D+00 -0.607110D+01 -0.284186D+01
      3  -0.157887D+00 -0.672526D+00 -0.194296D+01 -0.126982D+01 -0.324655D+01
                11            12            13            14            15 
      1  -0.217457D+01 -0.111051D+01 -0.166660D+00 -0.152490D+01 -0.205654D+01
      2  -0.368853D+00 -0.521005D+00  0.553703D+00 -0.124524D+01 -0.165795D+01
      3  -0.477453D+01 -0.954802D-01  0.783734D+00  0.210486D+01  0.234852D+01
                16            17            18            19            20 
      1  -0.103804D+01  0.226983D+01 -0.878114D+00 -0.192716D+01 -0.130292D+00
      2  -0.444504D+01 -0.903711D+00  0.144125D+02 -0.252271D+00  0.139088D+01
      3  -0.124709D+01  0.209927D+01  0.823208D+00  0.202772D+01 -0.363971D+01
                21            22            23            24            25 
      1   0.115348D+01 -0.129755D+01 -0.174722D+01 -0.895938D+00  0.933241D+00
      2  -0.360791D+00  0.431118D+00  0.114898D+01 -0.550860D+00 -0.463250D+01
      3   0.195818D-01  0.235170D+01 -0.410719D+01 -0.160502D+01  0.213884D+01
                26            27            28            29            30 
      1   0.224329D+01  0.601464D+01 -0.183980D+01  0.743289D+00  0.140908D+01
      2   0.220230D+00 -0.559361D+01 -0.209547D+01  0.118216D+01 -0.250206D+01
      3  -0.102168D+01 -0.508656D+00 -0.735338D+01 -0.903297D+01  0.396696D+00
                31            32            33            34            35 
      1  -0.474703D+00  0.240104D+00 -0.342738D+00 -0.188055D+00  0.328452D+01
      2  -0.654160D+00 -0.111747D+01 -0.337206D+01 -0.521815D+01  0.733913D+00
      3  -0.526438D+01  0.641842D+01  0.193113D+01  0.100397D+01  0.999004D+00
                36            37            38            39            40 
      1   0.485352D+01  0.219614D+01 -0.331321D+00 -0.128277D+01  0.385499D+00
      2   0.163760D+02  0.104561D+01  0.271386D+00  0.123712D+02 -0.233049D+00
      3   0.685573D+00 -0.399984D+01 -0.228107D+01 -0.164369D+01  0.198501D+02
                41            42            43            44            45 
      1   0.832506D+00 -0.536391D+01  0.185025D+01  0.265571D+01  0.604511D+00
      2  -0.207735D+00  0.812670D+00 -0.783280D+01 -0.138499D+01  0.125659D+01
      3   0.215509D+01  0.190024D+00 -0.559274D+01 -0.537168D+00 -0.372418D+00
                46            47            48            49            50 
      1  -0.721419D-01  0.257453D+00 -0.964822D+00 -0.795224D+00  0.224927D+00
      2   0.788753D+00  0.147368D+00 -0.533584D+01 -0.511399D+00  0.189760D+01
      3   0.849494D+01  0.531113D+01  0.593019D+00 -0.507035D+00 -0.137683D+01
                51            52            53            54            55 
      1  -0.839491D+00 -0.201566D+01  0.325799D+01  0.987976D+01 -0.531048D+01
      2   0.313073D+01 -0.400269D+01 -0.165313D+01 -0.166049D+02 -0.396929D+01
      3  -0.219715D+01  0.273631D+01 -0.253985D+01  0.207636D+00  0.156271D+02
                56            57            58            59            60 
      1   0.220310D+01 -0.207705D+01  0.271820D+01 -0.440169D+01 -0.672111D+01
      2   0.318972D+01  0.128262D+01  0.101803D+01 -0.259674D+01 -0.167557D+00
      3  -0.576195D+01  0.337004D+01  0.427208D+01  0.963809D+01  0.401974D-01
                61            62            63            64            65 
      1  -0.148937D+01  0.142005D+01 -0.389173D+01  0.127828D+01  0.272009D-02
      2  -0.535736D+01 -0.131267D+00 -0.146320D+01  0.965592D+00 -0.422831D+00
      3   0.730750D+01  0.159605D+01  0.209385D+01  0.373839D+00 -0.173014D+01
                66            67            68            69            70 
      1  -0.425567D+00  0.836504D-01  0.141435D+01 -0.902275D+00 -0.290512D+00
      2   0.101018D+01 -0.312507D+00  0.547936D+00 -0.167081D+00 -0.438348D+01
      3  -0.125145D+01  0.677524D+00  0.248017D+00 -0.786965D+00 -0.280075D+01
                71            72            73            74            75 
      1   0.375408D+01  0.106963D+02 -0.844599D+00  0.526242D+00  0.166482D+01
      2  -0.572885D+00  0.611557D+01  0.804298D+01  0.225589D+01  0.441809D+01
      3  -0.125261D+01  0.103477D+01  0.130279D+02 -0.146161D+01 -0.138282D+01
                76            77            78            79            80 
      1  -0.175907D+01 -0.273650D-01 -0.316416D+01  0.165735D+01  0.383355D+01
      2   0.237034D+01  0.352671D+01 -0.421794D+01 -0.197102D+01 -0.229941D+01
      3   0.767233D+01  0.154316D+02 -0.306419D+01 -0.192233D+01 -0.715827D+01
                81            82            83            84            85 
      1   0.696865D+00  0.148350D+00  0.247005D+00  0.203849D-01  0.602115D+00
      2   0.408523D+01 -0.200544D+01 -0.172656D+00  0.102492D+01  0.496521D-01
      3   0.147912D+01  0.821981D+00 -0.561717D+00  0.151815D+00  0.160456D+01
                86            87            88            89            90 
      1  -0.466254D+00 -0.160353D+01  0.328051D+00  0.455392D+01 -0.105460D+01
      2  -0.202899D+01  0.976766D+00 -0.329083D+01  0.307779D+00 -0.148445D+02
      3  -0.565354D+00  0.158202D+01  0.312283D+00  0.353933D+01  0.453754D-01
                91            92            93            94            95 
      1  -0.869601D+00  0.259204D+00  0.360731D+00  0.245443D+00 -0.120271D+01
      2   0.143040D+01  0.104113D+00  0.440773D+00  0.428595D+00  0.274676D+00
      3  -0.295232D+00 -0.117797D+01  0.900641D+00  0.121011D+01  0.198859D+00
                96            97            98            99           100 
      1  -0.667116D+00 -0.581107D+00  0.450699D+01 -0.717631D+01  0.224918D+01
      2  -0.575519D+00 -0.475889D+01  0.443996D+00  0.583914D+01 -0.187967D+01
      3  -0.496451D+00  0.139047D+01 -0.141023D+01 -0.614122D-01  0.897335D+01
               101           102           103           104           105 
      1  -0.238950D-02 -0.209902D+01  0.130541D+01  0.598556D+01 -0.249257D+01
      2  -0.705587D+00  0.618185D+01  0.472305D+00 -0.310848D+01  0.654954D+00
      3  -0.108938D+02 -0.156127D+01 -0.322072D+00  0.140523D+02  0.348793D+01
               106           107           108           109           110 
      1  -0.193723D+01  0.462334D+01  0.262722D+01  0.182984D+01 -0.380404D+00
      2  -0.175840D+01  0.775447D+00 -0.212594D+01  0.336140D+01 -0.651887D+00
      3  -0.489513D+01  0.624467D+01  0.110954D+01  0.513035D+01  0.454524D+01
               111           112           113           114           115 
      1   0.247399D+01 -0.194727D+01  0.873606D+01 -0.638891D+00 -0.138814D+01
      2   0.615988D+00  0.181564D+00  0.415742D+01 -0.260539D+01 -0.481243D+01
      3  -0.120027D+01  0.135580D+02 -0.155020D+02 -0.399688D+01 -0.337610D+01
               116           117           118           119           120 
      1   0.383716D+01 -0.150883D+02 -0.486127D+00  0.102307D+00  0.686301D+00
      2   0.342465D+01 -0.201945D+02 -0.130438D+01 -0.504171D+00  0.201689D+01
      3  -0.507972D+01 -0.321277D+01  0.591941D+00 -0.145787D+00  0.117171D+01
               121           122           123           124           125 
      1  -0.114320D+00 -0.115017D+01 -0.791680D+00  0.456282D+00  0.404360D+01
      2  -0.103531D-02 -0.140339D+01 -0.128234D-01 -0.417640D+01 -0.601596D+00
      3   0.225153D+01 -0.109510D+01  0.158712D+01  0.235545D+01  0.275172D+01
               126           127           128           129           130 
      1  -0.478434D+01 -0.582450D+00 -0.123793D+01  0.843675D+00  0.276033D+00
      2  -0.124024D+02 -0.219011D+00 -0.536772D+00  0.445671D+01  0.104992D+01
      3  -0.468779D+00  0.514026D+01 -0.690614D+01  0.599474D+00  0.714073D+01
               131           132           133           134           135 
      1   0.396368D+00 -0.548511D+01  0.423611D+01  0.416043D+01 -0.165270D+02
      2   0.754424D-01  0.737878D+00 -0.372559D+01 -0.215993D+01  0.146381D+02
      3  -0.783631D+01  0.213875D+00 -0.367769D-02  0.824195D-01 -0.969708D+00
               136           137           138           139           140 
      1  -0.155485D+01 -0.523473D-02 -0.298589D+00  0.866086D+00 -0.143542D+01
      2   0.212737D+01 -0.784898D-01  0.922795D+00  0.161235D+00  0.118493D+01
      3  -0.835681D+00 -0.139552D+01  0.188273D+01  0.838513D+00  0.106614D+01
               141           142           143           144           145 
      1  -0.834836D+00 -0.676558D+00  0.334648D+01 -0.103613D+02  0.417260D+01
      2  -0.626004D-01 -0.376962D+01  0.153962D+01  0.136770D+02  0.364705D+01
      3  -0.169439D+01  0.364380D+01 -0.211710D+01  0.626229D+00 -0.160421D+02
               146           147           148           149           150 
      1  -0.203956D+01  0.438448D+01 -0.147392D+01  0.168837D+01 -0.248030D+01
      2  -0.218929D+01  0.309857D+01 -0.166715D+01  0.130064D+01 -0.179615D+01
      3   0.257529D+01 -0.253588D+01  0.544896D+01 -0.285293D+01  0.347268D+00
               151           152           153           154           155 
      1   0.254595D+01 -0.120630D+01  0.100282D+01  0.119488D+01  0.639175D+00
      2   0.111931D+01 -0.136741D+01  0.804506D+00 -0.463953D+01 -0.215385D+01
      3  -0.481684D+01  0.665227D+00 -0.141620D+01 -0.116045D+02 -0.999965D+01
               156           157           158           159           160 
      1  -0.260414D+00  0.967967D+00  0.272292D+00 -0.404207D+00 -0.321523D+00
      2   0.527722D+01 -0.308129D+01 -0.231073D+01  0.323079D+01  0.264288D+01
      3   0.124954D+01 -0.748042D+01 -0.111042D+02  0.176613D+01  0.285883D+01
               161           162           163           164           165 
      1   0.670937D+00  0.278393D+00 -0.442755D+00  0.587243D+00  0.145312D+00
      2   0.138296D+01 -0.895912D+00  0.658544D+00 -0.379714D+00 -0.110810D+00
      3   0.353044D+01 -0.126302D+01 -0.385818D+01  0.341023D+01  0.107038D+01
               166           167           168           169           170 
      1   0.199905D+00 -0.443925D+01 -0.451828D+01 -0.190439D+00 -0.205680D+01
      2  -0.400878D+00  0.177861D+01  0.239336D+01 -0.786359D+00  0.162301D+01
      3   0.633785D+01 -0.195298D+02 -0.266897D+01  0.246360D+01 -0.519272D+01
               171           172           173           174           175 
      1  -0.110185D+01 -0.112149D+01 -0.949969D+00 -0.190497D+01  0.907843D+00
      2   0.516923D+00 -0.413902D+01 -0.861763D+00  0.877256D+01  0.290808D+00
      3  -0.162775D+01 -0.105625D+02 -0.161193D+02  0.159748D+01 -0.116869D+02
               176           177           178           179           180 
      1   0.160790D+01 -0.431321D+01  0.235133D+01  0.460299D+01  0.440491D+00
      2  -0.170248D+01 -0.180001D+01  0.190244D+01  0.286800D+00 -0.401208D+01
      3   0.235273D+02  0.133378D+01  0.218842D+01  0.474811D+01 -0.238923D+01
               181           182           183           184           185 
      1  -0.167721D+01  0.606304D+00  0.784925D+00  0.105352D+01 -0.579987D+01
      2  -0.161066D+01  0.634744D+00  0.164075D+01  0.527439D+00 -0.269745D+01
      3   0.193787D+01 -0.109273D+01  0.732325D+00  0.920318D+00  0.227070D+02
               186           187           188           189           190 
      1  -0.521685D+01  0.106379D+01 -0.206236D+01 -0.611257D+00  0.210936D+01
      2  -0.319248D+01  0.520039D+00 -0.338475D+01  0.978052D-01  0.365921D+01
      3   0.246939D+01  0.206040D+01  0.430235D+01  0.269932D+01 -0.291363D-02
               191           192           193           194           195 
      1  -0.593767D-02 -0.210333D+00 -0.675515D-01  0.916860D+00  0.368788D+00
      2  -0.508995D-01 -0.155250D-01 -0.778109D+00  0.261552D+01  0.808340D+00
      3  -0.145853D+01 -0.172446D+01 -0.110452D+01  0.174824D+01 -0.215735D+01
               196           197           198           199           200 
      1   0.750338D+00  0.261725D+01  0.145376D+02  0.143053D+01  0.722982D+00
      2  -0.311641D+01 -0.316999D+01  0.239223D+02 -0.206842D+01 -0.838489D+00
      3  -0.294716D+01 -0.380320D+01  0.302893D+01  0.102163D+01 -0.258480D+00
               201           202           203           204           205 
      1  -0.173939D+01  0.315954D+00  0.202615D+01 -0.120354D+01 -0.533857D+01
      2   0.154257D+01 -0.639161D+00 -0.142750D+01  0.149199D+01  0.221967D+01
      3  -0.104232D+01  0.363821D+00 -0.871011D+00  0.943408D+00 -0.332132D+01
               206           207           208           209           210 
      1  -0.294254D+01  0.186629D+02 -0.232532D+00  0.331173D+00 -0.920171D+00
      2   0.491002D+01 -0.165499D+02  0.259904D-01  0.997393D-01  0.631319D+00
      3   0.338532D+01  0.263637D+00 -0.477670D+01  0.540472D+01  0.295746D+00
               211           212           213           214           215 
      1   0.212042D+00 -0.339333D+01  0.519395D+00 -0.694360D+00  0.870291D+00
      2  -0.157208D+00 -0.476096D+00  0.547960D+01 -0.228637D+00  0.114196D+01
      3   0.783178D+01 -0.329826D+02  0.244328D+00  0.113582D+01 -0.188842D+01
               216 
      1  -0.201217D-01
      2  -0.643423D+00
      3  -0.537422D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.215118D+01 -0.852659D+01 -0.392172D+00 -0.562728D+01  0.136946D+02
      2   0.251966D+01  0.117925D+02 -0.833687D+00  0.699701D+01 -0.264145D+02
      3  -0.467084D+01 -0.326593D+01  0.122586D+01 -0.136973D+01  0.127199D+02
      4  -0.428613D+01 -0.219063D+01 -0.799114D+00 -0.101939D+02  0.101328D+02
      5   0.189729D+01 -0.145413D+01 -0.391020D+00 -0.403639D+01  0.174473D+01
      6   0.100258D+01  0.218209D+01  0.142563D+01  0.304252D+01 -0.776527D+01
                 6             7             8             9            10 
      1   0.266029D+01  0.161212D+01  0.431305D+01  0.124836D+02 -0.235680D+02
      2  -0.790173D+00 -0.303439D+00 -0.121811D+02  0.511644D+01  0.116399D+02
      3  -0.187012D+01 -0.130868D+01  0.786807D+01 -0.176000D+02  0.119281D+02
      4   0.261627D+01 -0.261766D+01  0.394844D+01  0.795773D+00  0.121837D+02
      5   0.150882D+01  0.107218D+01  0.173036D+01 -0.133633D+02 -0.869405D+01
      6  -0.106854D+02  0.804377D-01 -0.458787D+01  0.261172D+02  0.377747D+00
                11            12            13            14            15 
      1   0.563642D+01 -0.175257D+01  0.127694D+02  0.825018D+01  0.162904D+01
      2  -0.107849D+00  0.424303D+01 -0.763363D+01 -0.265579D+01 -0.211194D+01
      3  -0.552857D+01 -0.249046D+01 -0.513575D+01 -0.559438D+01  0.482907D+00
      4  -0.527242D+01  0.118242D+01  0.653341D+01 -0.549704D+01 -0.216659D+01
      5   0.112346D+01 -0.735306D+01  0.363711D+01 -0.319901D+00 -0.278626D+01
      6  -0.272904D+01  0.271834D+01 -0.150759D+01  0.650021D+00  0.609455D+00
                16            17            18            19            20 
      1  -0.125756D+02  0.288751D+01  0.612123D+01 -0.919226D+01  0.131126D+01
      2   0.402534D+01 -0.222479D+01  0.106568D+02  0.168403D+01 -0.794159D+01
      3   0.855028D+01 -0.662713D+00 -0.167780D+02  0.750824D+01  0.663033D+01
      4   0.693796D+01 -0.371577D+01 -0.230999D+01 -0.789180D+01 -0.115180D+02
      5  -0.419052D+01 -0.217805D+01  0.370176D+02  0.328045D+01  0.202654D+01
      6   0.382837D+00  0.810333D-01  0.122327D+01 -0.257907D+00  0.231875D+01
                21            22            23            24            25 
      1  -0.132083D+01 -0.890007D+01 -0.381670D+01 -0.260144D+01  0.423465D+01
      2  -0.165690D+01  0.164503D+01  0.271835D+01  0.372934D+00  0.824929D+00
      3   0.297772D+01  0.725504D+01  0.109835D+01  0.222851D+01 -0.505958D+01
      4   0.951986D+00 -0.122930D+02 -0.310447D+01  0.240459D+00  0.456368D+01
      5  -0.610871D+01  0.249607D+01  0.698071D+00 -0.183793D+01 -0.592057D+00
      6  -0.328283D+01  0.306990D+00  0.390388D+01 -0.244155D+01 -0.991104D+00
                26            27            28            29            30 
      1   0.463318D+00  0.869553D+01 -0.115489D+02  0.127373D+02 -0.568612D+01
      2   0.171650D+01  0.117075D+02  0.447599D+01 -0.104540D+02  0.243437D+00
      3  -0.217981D+01 -0.204030D+02  0.707294D+01 -0.228330D+01  0.544269D+01
      4   0.483066D+01 -0.231672D+00 -0.204036D+01 -0.896782D+01  0.287674D+01
      5  -0.954306D-01 -0.143291D+02 -0.476708D+01  0.165652D+01 -0.105014D+02
      6   0.212343D+01 -0.154548D+02  0.417835D+01 -0.676916D+00 -0.396637D+00
                31            32            33            34            35 
      1   0.821645D+01  0.632660D+01 -0.404712D+01 -0.362400D+01 -0.870307D+00
      2  -0.534921D+01 -0.592442D+01  0.140216D-01 -0.221714D+01  0.256593D+01
      3  -0.286724D+01 -0.402184D+00  0.403310D+01  0.584114D+01 -0.169562D+01
      4  -0.841173D+01 -0.165168D+02 -0.199225D+01  0.183767D+01 -0.270034D+01
      5   0.179742D+00 -0.102626D+01 -0.619200D+01 -0.438208D+01  0.312807D-01
      6  -0.860347D+00  0.194181D+01 -0.355590D+01  0.942400D+00 -0.114339D+01
                36            37            38            39            40 
      1   0.925543D+01  0.500304D+01 -0.267844D+01 -0.621570D+00  0.804245D+00
      2   0.971671D+01 -0.194812D+01  0.235457D+01 -0.367905D-01  0.417411D+00
      3  -0.189721D+02 -0.305493D+01  0.323869D+00  0.658360D+00 -0.122166D+01
      4   0.600018D+00 -0.324882D+01  0.204638D+02 -0.155359D+01  0.175042D+02
      5   0.313856D+02  0.189287D+01  0.993276D-01  0.238756D+02 -0.172857D+01
      6  -0.122868D+02 -0.176053D+01  0.216593D+01  0.296089D+01 -0.290692D+00
                41            42            43            44            45 
      1  -0.188340D+02  0.495011D+01  0.128481D+01  0.411436D+01 -0.101443D+02
      2   0.256960D+02 -0.144034D+01 -0.228348D+01 -0.467875D+01 -0.211978D+01
      3  -0.686194D+01 -0.350977D+01  0.998671D+00  0.564394D+00  0.122641D+02
      4   0.339048D+01 -0.304822D+00 -0.855215D+01 -0.256320D+00 -0.144898D+01
      5  -0.935549D+00  0.239109D+01  0.657551D+01 -0.149263D+00  0.223827D+01
      6  -0.430774D+01  0.760604D+01 -0.865033D+00  0.945807D+01  0.118312D-01
                46            47            48            49            50 
      1  -0.138542D+02  0.238063D+01  0.470203D+01 -0.105542D+02 -0.223069D+01
      2   0.842037D+01 -0.836108D+01 -0.149072D+01  0.329083D+00 -0.705107D+01
      3   0.543380D+01  0.598045D+01 -0.321131D+01  0.102251D+02  0.928175D+01
      4   0.320230D+01 -0.251507D+02 -0.200215D+01 -0.223098D+02 -0.469156D+01
      5   0.410532D+00 -0.117480D+01 -0.145411D+02  0.110119D+01  0.487936D+00
      6  -0.942967D+00 -0.283345D+01 -0.204593D+01  0.184296D+00  0.143314D+01
                51            52            53            54            55 
      1  -0.221481D+01  0.609914D+01 -0.243562D+01  0.141774D+02 -0.279876D+01
      2  -0.472030D+00  0.955310D+00  0.939838D+01  0.104732D+02 -0.520177D+01
      3   0.268684D+01 -0.705445D+01 -0.696276D+01 -0.246506D+02  0.800054D+01
      4   0.125381D+01  0.360485D+01  0.301386D+01  0.810501D+00  0.228290D+02
      5   0.450422D+01 -0.326499D+01 -0.117893D+01 -0.322307D+02 -0.358302D+01
      6  -0.350661D+01  0.209050D+00 -0.274341D+01 -0.264658D+02  0.852082D+01
                56            57            58            59            60 
      1   0.336210D+00 -0.284087D+01  0.320097D+01 -0.366454D+02 -0.694270D+01
      2   0.594706D+01  0.684297D+00 -0.648764D+00  0.550570D+02  0.570094D+01
      3  -0.628327D+01  0.215657D+01 -0.255220D+01 -0.184116D+02  0.124176D+01
      4  -0.495587D+01  0.754597D+01  0.344753D+01 -0.144398D+02 -0.512509D+01
      5   0.158170D+01  0.526633D+01  0.238054D+01 -0.348521D+01 -0.139267D+01
      6  -0.324345D+01  0.248035D+01 -0.355706D+01  0.131969D+02  0.143876D+02
                61            62            63            64            65 
      1  -0.238378D+01 -0.108545D+02 -0.119050D+02 -0.377733D-01  0.811532D+00
      2  -0.252668D+01  0.187294D+02  0.327802D+01 -0.358620D+01 -0.951887D+00
      3   0.491046D+01 -0.787487D+01  0.862698D+01  0.362398D+01  0.140355D+00
      4   0.137424D+02 -0.124530D+02 -0.194138D+01  0.999154D+00  0.251473D+01
      5   0.525757D+01 -0.409170D+01 -0.336087D+01  0.124055D+01 -0.875306D+00
      6   0.132187D+00  0.171914D+02  0.830385D+01 -0.355776D+01 -0.651862D+00
                66            67            68            69            70 
      1   0.187706D+01  0.582680D+00 -0.511174D+01  0.346452D+01  0.245986D+01
      2  -0.693630D+00 -0.859563D+00  0.383958D+01 -0.369616D+01 -0.750250D+00
      3  -0.118343D+01  0.276883D+00  0.127216D+01  0.231642D+00 -0.170961D+01
      4  -0.285084D+01  0.253637D+01 -0.175014D+01  0.150952D+01 -0.416150D+01
      5   0.700734D+01  0.771888D-02  0.136222D+01 -0.549809D+00  0.460691D+01
      6   0.964241D+00 -0.191386D+00 -0.395160D+01  0.791132D+01 -0.301434D+00
                71            72            73            74            75 
      1   0.579014D+01 -0.187760D+02  0.230845D+02 -0.244278D+02  0.910003D+01
      2  -0.527561D+01 -0.138490D+02 -0.129660D+02  0.116639D+02 -0.858662D+01
      3  -0.514533D+00  0.326249D+02 -0.101186D+02  0.127639D+02 -0.513409D+00
      4   0.328074D+01 -0.808156D+00 -0.294975D+02  0.943390D+01  0.408374D+00
      5  -0.147965D+01  0.122766D+02  0.148706D+02  0.111189D+01  0.101541D+02
      6   0.781705D+01 -0.269393D+02 -0.284884D+01  0.113191D+01 -0.268594D+01
                76            77            78            79            80 
      1  -0.441045D+02 -0.667053D+01  0.177279D+01  0.266881D+02  0.242678D+01
      2   0.245181D+02  0.955330D+01 -0.328212D+00 -0.165401D+02 -0.167342D+01
      3   0.195863D+02 -0.288276D+01 -0.144457D+01 -0.101479D+02 -0.753365D+00
      4   0.902113D+01 -0.197009D+02  0.676401D+01 -0.256073D+01  0.985681D+01
      5  -0.618049D+00  0.720399D+01 -0.642325D+01  0.171041D+02 -0.507228D+01
      6   0.612426D+00 -0.178930D+01  0.750322D+01 -0.249526D+01  0.628437D+01
                81            82            83            84            85 
      1   0.210239D+01  0.356852D+01 -0.129703D+01 -0.475750D+01 -0.129744D+01
      2  -0.954279D+01 -0.508846D+01  0.410551D+00  0.322106D+01  0.583177D+00
      3   0.744041D+01  0.151994D+01  0.886477D+00  0.153644D+01  0.714265D+00
      4  -0.527015D+01 -0.146366D+01  0.140492D+01  0.288188D+00  0.152453D+01
      5   0.863659D+01 -0.482659D+01 -0.406191D+00  0.779772D+01 -0.610368D+00
      6  -0.154335D+01  0.282794D+00 -0.262434D-01  0.301378D+00 -0.112122D+01
                86            87            88            89            90 
      1  -0.407048D+01  0.395030D+00 -0.785779D+01  0.718380D-01 -0.147532D+02
      2   0.397203D+00  0.874253D+00  0.656147D+01  0.544760D+00 -0.176770D+02
      3   0.367328D+01 -0.126928D+01  0.129632D+01 -0.616598D+00  0.324302D+02
      4   0.197360D+01 -0.481103D+01  0.135416D+00 -0.606603D+01  0.116494D+01
      5  -0.495404D+01  0.202670D+01  0.867448D+01  0.155993D+01 -0.349582D+02
      6  -0.232035D+00  0.807106D+01 -0.120300D+00  0.508303D+01  0.159419D+01
                91            92            93            94            95 
      1   0.483567D+00 -0.442787D+00  0.210711D+01 -0.357642D+00 -0.240365D+01
      2  -0.315933D+01  0.971117D+00 -0.949457D+00  0.650260D+00 -0.903550D+00
      3   0.267576D+01 -0.528330D+00 -0.115765D+01 -0.292618D+00  0.330720D+01
      4   0.172737D+00  0.283585D+01  0.163098D+01  0.342246D+01  0.321422D+00
      5   0.204952D+01 -0.632073D-01  0.636241D+01 -0.334077D+00  0.155717D+01
      6   0.188326D+01 -0.185396D+00 -0.413925D+00  0.207382D+00  0.146812D+01
                96            97            98            99           100 
      1  -0.797440D+00  0.267939D+01 -0.224729D+01 -0.189025D+02  0.288773D+02
      2   0.244081D+01 -0.224967D+01  0.335233D+01 -0.172805D+02 -0.119386D+02
      3  -0.164337D+01 -0.429717D+00 -0.110504D+01  0.361830D+02 -0.169387D+02
      4   0.184309D+01  0.304500D+01  0.324670D+01  0.894194D+00  0.234428D+02
      5  -0.770150D+00  0.578792D+01  0.531960D+00  0.141632D+02 -0.435304D+01
      6   0.686495D+01  0.841081D+00  0.523851D+01  0.155541D+02 -0.316929D+01
               101           102           103           104           105 
      1  -0.360631D+01 -0.210152D+01  0.294221D+00  0.158301D+02  0.663949D+01
      2   0.118719D+02  0.360469D+01  0.459945D+01 -0.168524D+02 -0.679324D+01
      3  -0.826564D+01 -0.150317D+01 -0.489367D+01  0.102236D+01  0.153750D+00
      4   0.252386D+02 -0.232498D+01  0.204516D+02 -0.284882D+01 -0.468874D+01
      5  -0.538276D+00  0.120878D+02 -0.101742D+01 -0.670137D+01  0.104297D+01
      6  -0.272290D+00  0.377857D+01 -0.503201D+00 -0.954112D+01  0.700891D+01
               106           107           108           109           110 
      1  -0.699318D+01  0.796509D+01 -0.146219D+01 -0.163102D+02 -0.123321D+02
      2   0.259449D+01 -0.130469D+02 -0.581663D+01  0.128326D+02  0.562284D+01
      3   0.439869D+01  0.508184D+01  0.727882D+01  0.347763D+01  0.670922D+01
      4  -0.791257D+01 -0.116319D+02  0.482370D+01 -0.140718D+02  0.286748D+00
      5   0.108166D+02  0.267878D+01 -0.374185D+01  0.131337D+02 -0.295139D+01
      6   0.584335D+01  0.671135D+01 -0.508635D+01 -0.756698D+01  0.495363D+01
               111           112           113           114           115 
      1   0.273455D+01 -0.334111D+02  0.130063D+02  0.190970D+01  0.227114D+02
      2  -0.537045D+01  0.251604D+02 -0.339990D+02 -0.882830D+01 -0.995082D+01
      3   0.263590D+01  0.825074D+01  0.209927D+02  0.691860D+01 -0.127605D+02
      4  -0.621796D+01 -0.864966D+01  0.385355D+02  0.719675D+01 -0.220172D+01
      5  -0.361229D+01  0.209439D+01  0.736375D+01 -0.545522D+01 -0.247956D+01
      6  -0.524096D+01  0.696742D+00 -0.476884D+01 -0.160371D+01  0.767463D+00
               116           117           118           119           120 
      1   0.166354D+01  0.182954D+02  0.283006D+01 -0.204905D+01 -0.251445D+01
      2  -0.656867D+01  0.704712D+01 -0.431912D+01  0.126265D+01  0.192974D+01
      3   0.490513D+01 -0.253426D+02  0.148905D+01  0.786396D+00  0.584712D+00
      4   0.104818D+02  0.686550D+01 -0.245106D+01  0.290831D+01  0.117742D+01
      5   0.654430D+01 -0.431921D+02 -0.328592D+01 -0.378595D+00  0.911656D+01
      6  -0.419223D+01  0.209552D+02  0.143079D+01  0.178075D+00 -0.821020D+00
               121           122           123           124           125 
      1  -0.148361D+01 -0.432731D+01 -0.864628D+00 -0.549823D+01 -0.103853D+01
      2   0.450018D+00  0.118354D+01  0.147201D+01  0.710033D+01  0.932956D+00
      3   0.103359D+01  0.314377D+01 -0.607378D+00 -0.160210D+01  0.105570D+00
      4   0.324526D+01  0.656517D+00 -0.204554D+01  0.366734D+01 -0.307937D+01
      5   0.142248D-01 -0.306888D+01  0.719447D+00  0.829447D+01 -0.115829D+01
      6  -0.397486D+00  0.171074D+01  0.788800D+01 -0.144237D+01  0.585874D+01
               126           127           128           129           130 
      1  -0.189422D+02  0.219265D+02  0.353996D+01  0.309404D+00  0.741266D+01
      2  -0.163805D+02 -0.295240D+01  0.883084D+01  0.113346D+01  0.628008D+01
      3   0.353227D+02 -0.189741D+02 -0.123708D+02 -0.144287D+01 -0.136927D+02
      4  -0.157790D+01  0.251839D+02  0.307691D+02  0.157600D+01  0.316975D+02
      5  -0.250242D+02 -0.529046D+00  0.677219D+00  0.641560D+01  0.593411D+00
      6   0.122469D+02  0.704931D+00  0.774861D+00 -0.147020D+00  0.128253D+01
               131           132           133           134           135 
      1  -0.988096D+01  0.136334D+01 -0.938655D+00 -0.131829D+01 -0.929713D+00
      2   0.339721D+02  0.533055D+00  0.574999D+00  0.131236D+01  0.216835D+01
      3  -0.240911D+02 -0.189639D+01  0.363656D+00  0.593016D-02 -0.123864D+01
      4   0.352824D+02  0.166928D+01  0.512899D+01  0.621936D+01 -0.357956D+01
      5   0.989464D+00  0.204175D+01  0.173698D+01 -0.144140D+01  0.265765D+02
      6  -0.974032D+00  0.879593D+01 -0.248895D+01  0.344296D+01  0.276279D+02
               136           137           138           139           140 
      1  -0.173715D-01  0.793855D+00  0.361946D+01 -0.130287D+00 -0.344843D+01
      2  -0.276710D+01 -0.135295D+00 -0.139002D+01  0.115448D+01  0.143942D+01
      3   0.278447D+01 -0.658560D+00 -0.222944D+01 -0.102419D+01  0.200901D+01
      4   0.134349D+01  0.453753D+01  0.335262D+01  0.478248D+01  0.152413D+01
      5   0.379792D+01  0.673176D+00  0.800815D+01 -0.249163D+00  0.288056D+01
      6   0.366811D+01 -0.124131D+00  0.511315D+00 -0.194285D-01  0.383229D+01
               141           142           143           144           145 
      1  -0.241120D+01  0.334195D+01 -0.425859D+01 -0.198226D+02  0.105396D+02
      2   0.355499D+01 -0.384430D+01  0.255630D+01 -0.151269D+02  0.708270D+01
      3  -0.114379D+01  0.502346D+00  0.170228D+01  0.349495D+02 -0.176223D+02
      4   0.227455D+01  0.643735D+01  0.621806D+01  0.364360D+01 -0.342431D+02
      5  -0.486865D+00  0.868400D+01  0.390035D+01  0.265456D+02  0.752372D+00
      6   0.779835D+01  0.314534D+01  0.909879D+01  0.262526D+02 -0.449862D+01
               146           147           148           149           150 
      1   0.205259D+01  0.238093D+01 -0.128919D+01 -0.242460D+01  0.981956D-02
      2  -0.165660D+02  0.686645D+00 -0.750679D+01  0.129480D+02 -0.198271D+01
      3   0.145134D+02 -0.306758D+01  0.879598D+01 -0.105234D+02  0.197289D+01
      4   0.254528D+02 -0.439621D+01  0.180928D+02 -0.151958D+02  0.220662D+01
      5   0.426152D-01  0.337040D+01  0.394629D+00  0.687634D+00 -0.278880D+01
      6   0.153347D+01 -0.687116D+01  0.154823D+01 -0.127203D+01  0.418069D+01
               151           152           153           154           155 
      1   0.207606D+01  0.111401D+01  0.360356D+00  0.556261D+02  0.166677D+02
      2   0.200366D+01 -0.479572D+01  0.136787D+01 -0.303845D+02 -0.956335D+01
      3  -0.407973D+01  0.368171D+01 -0.172823D+01 -0.252417D+02 -0.710433D+01
      4  -0.904986D+01  0.659980D+01 -0.486523D+01  0.113405D+02  0.128559D+02
      5   0.332429D+01 -0.203634D+01  0.154669D+01 -0.233362D+01 -0.147831D+01
      6  -0.463452D+01  0.417878D+01 -0.143249D+01  0.128399D+01  0.135961D+01
               156           157           158           159           160 
      1  -0.439799D+01  0.329651D+02  0.119343D+02 -0.216875D+01 -0.126303D+02
      2   0.155853D+01 -0.185623D+02 -0.539673D+01  0.887318D+00  0.739363D+01
      3   0.283946D+01 -0.144028D+02 -0.653758D+01  0.128143D+01  0.523666D+01
      4  -0.151802D+01  0.113923D+02  0.120038D+02 -0.245705D+01 -0.308942D+01
      5   0.852524D+01 -0.169999D+01 -0.256858D+01  0.466093D+01  0.706978D+01
      6  -0.402054D+00  0.106887D+01  0.547957D+00 -0.291581D+00  0.127910D-01
               161           162           163           164           165 
      1  -0.426689D+01  0.550768D+01 -0.768077D+00  0.418232D+01  0.116206D+01
      2   0.246589D+01 -0.359959D+01  0.246825D+01 -0.465130D+01 -0.100682D+01
      3   0.180101D+01 -0.190809D+01 -0.170017D+01  0.468972D+00 -0.155236D+00
      4  -0.350739D+01  0.191401D+01 -0.622998D+00  0.101587D+01  0.535099D+00
      5   0.248826D+01 -0.141944D+01  0.310190D+00 -0.407501D+00 -0.198944D+00
      6   0.627440D+00 -0.622020D+00  0.125115D+01 -0.805390D+00  0.323644D+00
               166           167           168           169           170 
      1   0.544299D+01 -0.268472D+02 -0.314725D+01  0.167671D+01 -0.701526D+01
      2  -0.332753D+00  0.460154D+02  0.550901D+01 -0.670025D+00  0.102038D+02
      3  -0.511024D+01 -0.191681D+02 -0.236175D+01 -0.100669D+01 -0.318854D+01
      4   0.898371D+01  0.284920D+02  0.284341D+01  0.182110D+01  0.661253D+01
      5  -0.663138D-01  0.421753D+01  0.457109D+01  0.782473D+00  0.327914D+01
      6   0.117246D+00  0.569939D+01  0.646718D+01  0.455306D+00  0.654295D+01
               171           172           173           174           175 
      1  -0.327274D+01  0.851496D+02  0.373888D+01 -0.581426D+01  0.269108D+01
      2   0.451147D+01 -0.500517D+02 -0.998542D+00  0.701791D+01 -0.345861D+01
      3  -0.123873D+01 -0.350979D+02 -0.274034D+01 -0.120365D+01  0.767540D+00
      4   0.283510D+01 -0.410084D+01  0.172073D+02  0.283937D+01  0.259778D+02
      5   0.780116D+00 -0.121253D+02  0.125973D+01  0.167117D+02 -0.112876D+00
      6   0.244943D+01  0.349408D+01 -0.215760D+01  0.220442D+01 -0.143419D+01
               176           177           178           179           180 
      1   0.155541D+02  0.293650D+01 -0.229828D+02 -0.196177D+00  0.755334D+01
      2  -0.228361D+01  0.122791D+01  0.139859D+02 -0.501313D+00 -0.139137D+02
      3  -0.132705D+02 -0.416441D+01  0.899685D+01  0.697490D+00  0.636034D+01
      4  -0.313199D+02 -0.460825D+01  0.120610D+01 -0.617609D+01 -0.115073D+01
      5  -0.519209D+01 -0.294168D+01  0.227761D+02  0.119631D+01 -0.823037D+01
      6   0.108912D+01  0.987215D+01 -0.246006D+01  0.524958D+01 -0.652108D+00
               181           182           183           184           185 
      1   0.351971D+01 -0.629560D+01 -0.329651D+01 -0.646638D+01 -0.208876D+02
      2   0.303519D+01  0.105586D+01  0.109393D+01 -0.416601D+01  0.491931D+02
      3  -0.655490D+01  0.523974D+01  0.220258D+01  0.106324D+02 -0.283055D+02
      4  -0.908816D+01  0.117036D+02  0.205568D+01  0.206247D+02 -0.542408D+02
      5  -0.307377D+01  0.728957D+00  0.284003D+01  0.694655D+00 -0.449330D+01
      6   0.208145D+01 -0.637898D+00 -0.116622D+01 -0.829873D-01  0.334318D+01
               186           187           188           189           190 
      1  -0.217389D+01 -0.576378D+01 -0.393606D+01 -0.402553D+01  0.106263D+01
      2   0.526341D+01  0.137056D+01  0.841169D+01  0.361794D+01 -0.438100D+01
      3  -0.308952D+01  0.439321D+01 -0.447563D+01  0.407592D+00  0.331837D+01
      4  -0.504939D+01  0.536137D+01 -0.106388D+02 -0.723357D+01  0.109546D+01
      5  -0.637999D+01  0.361049D+01 -0.726487D+01  0.605517D+00  0.618747D+01
      6   0.771016D+01 -0.202395D+01  0.828572D+01  0.242345D+01 -0.233234D+01
               191           192           193           194           195 
      1   0.132792D+01  0.825255D+01  0.563304D+01 -0.480095D+01  0.138408D+01
      2  -0.128321D+01 -0.399224D+01 -0.421794D+01  0.390228D+01 -0.245207D+01
      3  -0.447108D-01 -0.426032D+01 -0.141510D+01  0.898668D+00  0.106798D+01
      4   0.171694D+01 -0.240474D+01  0.133118D+01 -0.520762D+01  0.460204D+01
      5  -0.569733D+00  0.624586D+01 -0.165395D+00  0.489411D+01  0.189240D+01
      6  -0.928848D+00  0.931867D+00  0.289543D+00 -0.199677D+01  0.510332D+01
               196           197           198           199           200 
      1   0.107896D+02  0.478517D+01 -0.223730D+02  0.301308D+01  0.104112D+01
      2  -0.750455D+01 -0.276117D+01 -0.144584D+02 -0.166872D+01  0.966694D+00
      3  -0.328503D+01 -0.202399D+01  0.368315D+02 -0.134436D+01 -0.200781D+01
      4  -0.478438D+01  0.740480D+01 -0.746994D+01  0.526268D+01  0.343104D+01
      5   0.104779D+02 -0.744828D+01  0.499766D+02 -0.346366D+01 -0.156064D+01
      6  -0.245289D+01  0.956308D+01 -0.240280D+02 -0.290254D+01 -0.107239D+01
               201           202           203           204           205 
      1  -0.285868D+01  0.140869D+01 -0.278960D+01  0.131960D+01 -0.616711D+01
      2   0.131783D+01  0.231106D+00  0.414331D+01 -0.310035D+01  0.315524D+01
      3   0.154085D+01 -0.163980D+01 -0.135372D+01  0.178075D+01  0.301186D+01
      4  -0.358853D+01  0.236922D+01  0.376133D+01 -0.285276D+01 -0.117610D+02
      5   0.469930D+01 -0.558673D+00 -0.243866D+01  0.257802D+01  0.105810D+02
      6   0.289952D+01 -0.109031D+01 -0.293627D+01  0.404059D+01  0.886771D+01
               206           207           208           209           210 
      1   0.498590D+01 -0.510161D+01 -0.194242D+01  0.695624D+01  0.119949D+01
      2  -0.793291D+01 -0.357410D+01  0.285555D+01 -0.266562D+01 -0.272049D+00
      3   0.294702D+01  0.867571D+01 -0.913128D+00 -0.429061D+01 -0.927445D+00
      4  -0.132980D+02  0.123201D+02  0.734425D+01 -0.210728D+01 -0.430948D+00
      5   0.918368D+01 -0.308325D+02  0.528785D+00 -0.789281D+00  0.122478D+01
      6   0.116841D+02 -0.322394D+02 -0.322297D+00 -0.253433D+00  0.197352D+01
               211           212           213           214           215 
      1   0.312711D+02 -0.514891D+01 -0.195425D+01  0.221669D+01 -0.103237D+01
      2  -0.184218D+02  0.290805D+01  0.192322D+01 -0.125021D+01  0.560977D+00
      3  -0.128493D+02  0.224086D+01  0.310328D-01 -0.966476D+00  0.471393D+00
      4  -0.598188D+01  0.398335D+02  0.398928D+00 -0.798248D+00  0.180949D+01
      5  -0.239640D+01  0.109669D+01  0.100672D+02  0.277464D+01  0.186382D+01
      6   0.101636D+01 -0.947795D+00 -0.273182D+01 -0.103997D-01  0.176066D+01
               216 
      1   0.118997D+01
      2  -0.990792D+00
      3  -0.199177D+00
      4   0.121981D+01
      5  -0.174907D+01
      6   0.324250D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 19:37:01 2022, MaxMem=  5368709120 cpu:            9546.5 elap:            1197.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17368 -19.17132 -19.16983 -19.16558 -19.16336
 Alpha  occ. eigenvalues --  -19.14725 -10.30383 -10.25556 -10.25535 -10.25384
 Alpha  occ. eigenvalues --  -10.25367 -10.24020  -1.08867  -1.05225  -1.04169
 Alpha  occ. eigenvalues --   -1.02258  -1.02166  -1.01378  -0.79855  -0.77899
 Alpha  occ. eigenvalues --   -0.69412  -0.66394  -0.63705  -0.60845  -0.57070
 Alpha  occ. eigenvalues --   -0.56238  -0.53901  -0.52365  -0.51647  -0.50725
 Alpha  occ. eigenvalues --   -0.48713  -0.46724  -0.45918  -0.44092  -0.42747
 Alpha  occ. eigenvalues --   -0.41337  -0.39684  -0.39136  -0.38412  -0.37689
 Alpha  occ. eigenvalues --   -0.36246  -0.34033  -0.33401  -0.31316  -0.30670
 Alpha  occ. eigenvalues --   -0.30201  -0.29155  -0.27942
 Alpha virt. eigenvalues --    0.00176   0.00842   0.02324   0.02679   0.04008
 Alpha virt. eigenvalues --    0.04720   0.05624   0.06205   0.07143   0.07740
 Alpha virt. eigenvalues --    0.09175   0.09986   0.10058   0.10380   0.11023
 Alpha virt. eigenvalues --    0.11451   0.12016   0.13131   0.13304   0.13879
 Alpha virt. eigenvalues --    0.14329   0.14622   0.15365   0.15785   0.16287
 Alpha virt. eigenvalues --    0.17187   0.17544   0.17956   0.18137   0.19081
 Alpha virt. eigenvalues --    0.20217   0.20658   0.21693   0.22110   0.22190
 Alpha virt. eigenvalues --    0.23215   0.23670   0.24741   0.24975   0.25385
 Alpha virt. eigenvalues --    0.25588   0.26342   0.26905   0.27316   0.27932
 Alpha virt. eigenvalues --    0.28505   0.29037   0.29485   0.29919   0.30549
 Alpha virt. eigenvalues --    0.30916   0.31221   0.32544   0.32936   0.33196
 Alpha virt. eigenvalues --    0.33764   0.33928   0.34449   0.34722   0.34822
 Alpha virt. eigenvalues --    0.35339   0.36275   0.36344   0.36992   0.37592
 Alpha virt. eigenvalues --    0.37832   0.38164   0.38755   0.40373   0.41122
 Alpha virt. eigenvalues --    0.41389   0.42065   0.42295   0.42500   0.43168
 Alpha virt. eigenvalues --    0.43510   0.44950   0.45604   0.45740   0.46103
 Alpha virt. eigenvalues --    0.47249   0.47662   0.48566   0.48932   0.49158
 Alpha virt. eigenvalues --    0.49532   0.50657   0.51120   0.52062   0.52352
 Alpha virt. eigenvalues --    0.52851   0.53865   0.54177   0.54405   0.55259
 Alpha virt. eigenvalues --    0.55693   0.56110   0.56480   0.56909   0.57166
 Alpha virt. eigenvalues --    0.57808   0.58821   0.59393   0.59974   0.60113
 Alpha virt. eigenvalues --    0.61259   0.61410   0.61723   0.62496   0.63125
 Alpha virt. eigenvalues --    0.63630   0.63824   0.65073   0.65337   0.65947
 Alpha virt. eigenvalues --    0.66690   0.67200   0.68021   0.68954   0.69499
 Alpha virt. eigenvalues --    0.70732   0.70906   0.72466   0.72764   0.72915
 Alpha virt. eigenvalues --    0.73591   0.75919   0.76148   0.76521   0.77310
 Alpha virt. eigenvalues --    0.77689   0.78651   0.79210   0.80581   0.81175
 Alpha virt. eigenvalues --    0.81720   0.82084   0.83262   0.84057   0.85091
 Alpha virt. eigenvalues --    0.85664   0.87034   0.87268   0.88248   0.89877
 Alpha virt. eigenvalues --    0.90968   0.93586   0.94045   0.94927   0.96181
 Alpha virt. eigenvalues --    0.96757   0.99060   1.01114   1.02275   1.02751
 Alpha virt. eigenvalues --    1.04452   1.05042   1.06646   1.07657   1.08978
 Alpha virt. eigenvalues --    1.10844   1.11826   1.12849   1.13019   1.14754
 Alpha virt. eigenvalues --    1.18056   1.19269   1.20160   1.21672   1.23450
 Alpha virt. eigenvalues --    1.24403   1.26743   1.27619   1.29305   1.31080
 Alpha virt. eigenvalues --    1.31778   1.36225   1.37245   1.37638   1.39665
 Alpha virt. eigenvalues --    1.42581   1.44132   1.47210   1.48426   1.50079
 Alpha virt. eigenvalues --    1.52607   1.54214   1.54819   1.56189   1.57083
 Alpha virt. eigenvalues --    1.59037   1.60718   1.61886   1.62570   1.64161
 Alpha virt. eigenvalues --    1.65464   1.69906   1.70107   1.71060   1.72990
 Alpha virt. eigenvalues --    1.73466   1.75851   1.78247   1.81179   1.81665
 Alpha virt. eigenvalues --    1.83439   1.84326   1.85426   1.86788   1.89052
 Alpha virt. eigenvalues --    1.89675   1.91213   1.91859   1.93049   1.94566
 Alpha virt. eigenvalues --    1.95289   1.96422   1.97305   1.98237   1.99997
 Alpha virt. eigenvalues --    2.01032   2.01839   2.04807   2.05503   2.06620
 Alpha virt. eigenvalues --    2.07622   2.09459   2.10191   2.10657   2.12466
 Alpha virt. eigenvalues --    2.14505   2.16656   2.17073   2.17486   2.19192
 Alpha virt. eigenvalues --    2.19906   2.20658   2.22706   2.24017   2.24387
 Alpha virt. eigenvalues --    2.25541   2.27197   2.28186   2.29532   2.31943
 Alpha virt. eigenvalues --    2.32592   2.33775   2.34505   2.36088   2.36772
 Alpha virt. eigenvalues --    2.37167   2.39649   2.41580   2.42427   2.43618
 Alpha virt. eigenvalues --    2.45014   2.46985   2.48217   2.52093   2.54642
 Alpha virt. eigenvalues --    2.55789   2.57675   2.60384   2.63506   2.66188
 Alpha virt. eigenvalues --    2.70253   2.71959   2.81167   2.86632   2.90844
 Alpha virt. eigenvalues --    2.94005   2.98146   3.00328   3.02693   3.03420
 Alpha virt. eigenvalues --    3.04227   3.04836   3.05711   3.06884   3.07612
 Alpha virt. eigenvalues --    3.08800   3.09843   3.11255   3.13403   3.15136
 Alpha virt. eigenvalues --    3.16868   3.17858   3.20111   3.20484   3.22573
 Alpha virt. eigenvalues --    3.24257   3.26384   3.28423   3.29689   3.47911
 Alpha virt. eigenvalues --    3.52961   3.54582   3.58190   3.60127   3.66495
 Alpha virt. eigenvalues --    3.79081   3.92171   3.95236   3.96636   3.97789
 Alpha virt. eigenvalues --    4.01086
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.349120  -0.226731  -0.438382  -0.253347   0.062264  -0.072393
     2  C   -0.226731   6.149024  -0.065504  -0.016476  -0.075460  -0.317233
     3  C   -0.438382  -0.065504   6.496407  -0.030805  -0.216486  -0.074022
     4  C   -0.253347  -0.016476  -0.030805   6.402620  -0.622342   0.227628
     5  O    0.062264  -0.075460  -0.216486  -0.622342  10.026246  -0.574608
     6  C   -0.072393  -0.317233  -0.074022   0.227628  -0.574608   5.690207
     7  O    0.003809  -0.108389  -0.156307   0.032258   0.029443   0.009939
     8  H    0.448266   0.017282  -0.027471  -0.088057   0.039366  -0.022576
     9  O   -0.104290  -0.050994  -0.021039  -0.013252   0.074514  -0.069296
    10  H    0.129589   0.344055  -0.075035  -0.003884  -0.083321   0.154832
    11  H    0.045195  -0.037126   0.340636   0.029923  -0.153481   0.048347
    12  O   -0.084861  -0.008630  -0.220728  -0.039625   0.070310  -0.010714
    13  C    0.054870  -0.026649  -0.249675   0.096304   0.043033  -0.003612
    14  H   -0.080639   0.007432   0.307840   0.217360  -0.117892  -0.022712
    15  O    0.014078   0.028873  -0.017072  -0.043257  -0.016225  -0.205062
    16  H   -0.086347   0.194403   0.017071   0.066599  -0.073290   0.233347
    17  H    0.039115  -0.028748   0.066294   0.005787  -0.005325   0.008972
    18  H    0.050522   0.045844   0.003833   0.001107   0.005758  -0.021122
    19  H   -0.040156   0.009505   0.083794   0.030685   0.000612  -0.000840
    20  O    0.010977  -0.002716  -0.002735  -0.048622   0.048757  -0.002428
    21  H   -0.005487   0.001261   0.061604   0.072008   0.012981   0.001596
    22  H   -0.014161   0.006704   0.056543   0.130676  -0.087218  -0.001242
    23  H    0.002247  -0.027629   0.000728  -0.005780   0.036635   0.096761
    24  H    0.002073  -0.000193  -0.012773  -0.029326   0.003058   0.001356
               7          8          9         10         11         12
     1  C    0.003809   0.448266  -0.104290   0.129589   0.045195  -0.084861
     2  C   -0.108389   0.017282  -0.050994   0.344055  -0.037126  -0.008630
     3  C   -0.156307  -0.027471  -0.021039  -0.075035   0.340636  -0.220728
     4  C    0.032258  -0.088057  -0.013252  -0.003884   0.029923  -0.039625
     5  O    0.029443   0.039366   0.074514  -0.083321  -0.153481   0.070310
     6  C    0.009939  -0.022576  -0.069296   0.154832   0.048347  -0.010714
     7  O    8.335911  -0.051804   0.048853  -0.057452  -0.100505   0.047406
     8  H   -0.051804   0.861628  -0.051220   0.009732   0.031957  -0.036545
     9  O    0.048853  -0.051220   8.350633  -0.072382  -0.004822   0.013091
    10  H   -0.057452   0.009732  -0.072382   0.921245  -0.017069  -0.003676
    11  H   -0.100505   0.031957  -0.004822  -0.017069   1.198678  -0.088905
    12  O    0.047406  -0.036545   0.013091  -0.003676  -0.088905   8.398898
    13  C    0.006941   0.004384   0.003094   0.001201  -0.054600   0.046109
    14  H    0.005256  -0.049808  -0.003152  -0.003139   0.034384  -0.053810
    15  O    0.000801   0.004320  -0.018939  -0.015513  -0.005051   0.002486
    16  H    0.004847  -0.028763  -0.059716   0.010855   0.001541  -0.003834
    17  H    0.181416  -0.003542  -0.005099   0.000734   0.006438  -0.001758
    18  H    0.000855   0.002939   0.182733  -0.024092   0.000145  -0.000353
    19  H    0.000166   0.008240   0.000445   0.000866  -0.022370   0.202128
    20  O   -0.001573   0.000713   0.000119  -0.000266   0.013912  -0.030271
    21  H   -0.000076  -0.000295  -0.000076  -0.000158   0.004436  -0.003504
    22  H    0.000955  -0.001077  -0.000322  -0.000276  -0.029338  -0.013779
    23  H    0.000907   0.001189   0.013876  -0.018232   0.000615  -0.000017
    24  H    0.000728  -0.000563  -0.000098   0.000124  -0.012099   0.064848
              13         14         15         16         17         18
     1  C    0.054870  -0.080639   0.014078  -0.086347   0.039115   0.050522
     2  C   -0.026649   0.007432   0.028873   0.194403  -0.028748   0.045844
     3  C   -0.249675   0.307840  -0.017072   0.017071   0.066294   0.003833
     4  C    0.096304   0.217360  -0.043257   0.066599   0.005787   0.001107
     5  O    0.043033  -0.117892  -0.016225  -0.073290  -0.005325   0.005758
     6  C   -0.003612  -0.022712  -0.205062   0.233347   0.008972  -0.021122
     7  O    0.006941   0.005256   0.000801   0.004847   0.181416   0.000855
     8  H    0.004384  -0.049808   0.004320  -0.028763  -0.003542   0.002939
     9  O    0.003094  -0.003152  -0.018939  -0.059716  -0.005099   0.182733
    10  H    0.001201  -0.003139  -0.015513   0.010855   0.000734  -0.024092
    11  H   -0.054600   0.034384  -0.005051   0.001541   0.006438   0.000145
    12  O    0.046109  -0.053810   0.002486  -0.003834  -0.001758  -0.000353
    13  C    4.584863  -0.120905  -0.006416  -0.000289  -0.000132   0.000081
    14  H   -0.120905   1.057896  -0.010726   0.046565   0.000018   0.000573
    15  O   -0.006416  -0.010726   8.704485  -0.055174  -0.000191  -0.003333
    16  H   -0.000289   0.046565  -0.055174   1.026500   0.000274   0.000262
    17  H   -0.000132   0.000018  -0.000191   0.000274   0.593369   0.000361
    18  H    0.000081   0.000573  -0.003333   0.000262   0.000361   0.593774
    19  H   -0.007787  -0.002210  -0.000110   0.000044  -0.001356  -0.000022
    20  O    0.052179  -0.011421   0.001091  -0.000582   0.000004  -0.000003
    21  H    0.126862   0.015753  -0.001870   0.000969   0.000001   0.000003
    22  H    0.237008   0.022062  -0.001814   0.001274   0.000015   0.000012
    23  H    0.000797  -0.000541   0.058132   0.000312  -0.000083   0.003520
    24  H    0.016857   0.010280  -0.000040   0.000211  -0.000014   0.000000
              19         20         21         22         23         24
     1  C   -0.040156   0.010977  -0.005487  -0.014161   0.002247   0.002073
     2  C    0.009505  -0.002716   0.001261   0.006704  -0.027629  -0.000193
     3  C    0.083794  -0.002735   0.061604   0.056543   0.000728  -0.012773
     4  C    0.030685  -0.048622   0.072008   0.130676  -0.005780  -0.029326
     5  O    0.000612   0.048757   0.012981  -0.087218   0.036635   0.003058
     6  C   -0.000840  -0.002428   0.001596  -0.001242   0.096761   0.001356
     7  O    0.000166  -0.001573  -0.000076   0.000955   0.000907   0.000728
     8  H    0.008240   0.000713  -0.000295  -0.001077   0.001189  -0.000563
     9  O    0.000445   0.000119  -0.000076  -0.000322   0.013876  -0.000098
    10  H    0.000866  -0.000266  -0.000158  -0.000276  -0.018232   0.000124
    11  H   -0.022370   0.013912   0.004436  -0.029338   0.000615  -0.012099
    12  O    0.202128  -0.030271  -0.003504  -0.013779  -0.000017   0.064848
    13  C   -0.007787   0.052179   0.126862   0.237008   0.000797   0.016857
    14  H   -0.002210  -0.011421   0.015753   0.022062  -0.000541   0.010280
    15  O   -0.000110   0.001091  -0.001870  -0.001814   0.058132  -0.000040
    16  H    0.000044  -0.000582   0.000969   0.001274   0.000312   0.000211
    17  H   -0.001356   0.000004   0.000001   0.000015  -0.000083  -0.000014
    18  H   -0.000022  -0.000003   0.000003   0.000012   0.003520   0.000000
    19  H    0.611112  -0.001398  -0.000122   0.003484   0.000012  -0.013683
    20  O   -0.001398   8.143057  -0.028741  -0.018538  -0.000013   0.296651
    21  H   -0.000122  -0.028741   0.993597  -0.025396   0.000125   0.006254
    22  H    0.003484  -0.018538  -0.025396   0.890405   0.000071  -0.007436
    23  H    0.000012  -0.000013   0.000125   0.000071   0.640801   0.000001
    24  H   -0.013683   0.296651   0.006254  -0.007436   0.000001   0.492564
 Mulliken charges:
               1
     1  C    0.194670
     2  C    0.188094
     3  C    0.173283
     4  C   -0.118184
     5  O   -0.427331
     6  C    0.924876
     7  O   -0.234386
     8  H   -0.068295
     9  O   -0.212661
    10  H   -0.198738
    11  H   -0.230841
    12  O   -0.244267
    13  C    1.195484
    14  H   -0.248463
    15  O   -0.413474
    16  H   -0.297077
    17  H    0.143453
    18  H    0.156603
    19  H    0.138957
    20  O   -0.418153
    21  H   -0.231726
    22  H   -0.148613
    23  H    0.195567
    24  H    0.181220
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.126375
     2  C   -0.010644
     3  C   -0.057558
     4  C   -0.366647
     5  O   -0.427331
     6  C    0.627798
     7  O   -0.090933
     9  O   -0.056057
    12  O   -0.105309
    13  C    0.815146
    15  O   -0.217907
    20  O   -0.236932
 Electronic spatial extent (au):  <R**2>=           2210.6609
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -4.0277    Y=              1.6702    Z=              2.0971  Tot=              4.8383
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -81.7471   YY=            -75.1247   ZZ=            -69.9201
   XY=              3.0583   XZ=             -1.0473   YZ=             -2.9419
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.1498   YY=              0.4726   ZZ=              5.6772
   XY=              3.0583   XZ=             -1.0473   YZ=             -2.9419
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -92.4680  YYY=             32.0837  ZZZ=              3.5767  XYY=              8.2899
  XXY=             14.9325  XXZ=             28.3523  XZZ=             -6.7875  YZZ=             -7.4689
  YYZ=              2.5875  XYZ=              9.4269
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1814.1396 YYYY=           -898.0781 ZZZZ=           -144.9330 XXXY=             82.6262
 XXXZ=            -11.1503 YYYX=            -23.5089 YYYZ=            -27.4670 ZZZX=             -5.5122
 ZZZY=             -6.6504 XXYY=           -402.2601 XXZZ=           -301.0783 YYZZ=           -172.0061
 XXYZ=            -20.4904 YYXZ=             -9.7927 ZZXY=             18.6688
 N-N= 8.271274945161D+02 E-N=-3.262520193571D+03  KE= 6.803931053677D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 19:37:02 2022, MaxMem=  5368709120 cpu:               5.9 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.56801257D+00 6.79142439D-01 8.16141619D-01
 Polarizability= 1.30500200D+02 2.10358955D+00 1.20334435D+02
                -1.10464890D+00-1.72682906D+00 1.08070825D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3424    0.3414        0.6965    0.6968
 2     -0.3424   -0.3414        0.8319    0.8331       -5.7419   -5.7420
 3     -0.6965   -0.6968       14.0514   14.0478       -0.8339   -0.8331
 4     -0.8319   -0.8331       -0.0000    0.0000       -0.6977   -0.6968
 5     -8.3095   -8.3059        0.6977    0.6968        0.3402    0.3414
 6      0.8339    0.8331       -0.3402   -0.3414        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.0242   -1.0242        2.0905    2.0905
 2     -2.4994   -2.4994        0.0000    0.0000        2.0905    2.0905
 3     -2.4994   -2.4994       -1.0242   -1.0242        0.0000    0.0000
 4     -1.0242   -1.0242        2.4994    2.4994      -17.2259  -17.2259
 5     -2.0905   -2.0905       42.1435   42.1435       -2.4994   -2.4994
 6    -24.9177  -24.9177        2.0905    2.0905        1.0242    1.0242
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0666    0.0000       -1.5460   -1.3655       -2.8533   -2.7874
 2      1.2163    1.3655       -3.2431   -3.3325       22.6910   22.9678
 3      2.6295    2.7874      -56.0456  -56.1914        3.2787    3.3325
 4      3.2251    3.3325       -0.0938    0.0000        2.9266    2.7874
 5     33.1430   33.2235       -2.9523   -2.7874       -1.1391   -1.3655
 6     -3.5345   -3.3325        1.2336    1.3655       -0.2765    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0988    0.0000       -1.3887   -1.3781        8.3636    8.3215
 2      1.5014    1.3781       -7.3637   -7.2334       -3.2393   -3.1208
 3     -8.6218   -8.3215        7.7107    7.6856        7.3612    7.2334
 4      7.3235    7.2334       -0.0274    0.0000       -8.3909   -8.3215
 5     -4.4205   -4.5649        8.6075    8.3215       -1.4310   -1.3781
 6     -7.1841   -7.2334        1.3953    1.3781        0.0377    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.6653  -18.8952       10.0909   10.0813      -23.6529  -23.4555
 2    -14.5086  -14.6098       10.4064   10.4635      -23.7617  -23.4555
 3    -14.4033  -14.6098       10.0297   10.0813      -30.8422  -30.4902
 4     -0.3151   -0.3822       -4.3580   -4.2854       -1.2144   -1.1838
 5     -7.0510   -7.0347       10.8225   10.5212        4.3448    4.2854
 6     -9.0182   -9.3375        7.0074    7.0347        0.5759    0.3822
 Full mass-weighted force constant matrix:
 Low frequencies ---  -14.8968   -7.1588   -4.5336   -0.0003   -0.0002    0.0006
 Low frequencies ---   66.2390  102.0397  114.0316
 Diagonal vibrational polarizability:
      130.5383602      93.9725189     177.3069367
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     66.2188               102.0346               114.0311
 Red. masses --      7.0788                 5.2037                 4.9005
 Frc consts  --      0.0183                 0.0319                 0.0375
 IR Inten    --      1.1324                 1.6333                 7.2835
 RamAct Fr= 1--      0.0318                 0.0669                 0.0086
  Dep-P Fr= 1--      0.7488                 0.7406                 0.2803
  Dep-U Fr= 1--      0.8564                 0.8510                 0.4379
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0045                 0.0095                 0.0006
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0002
 Gamma2 Fr= 1--      0.0071                 0.1007                 0.0306
 Delta2 Fr= 1--      0.0203                 0.0586                 0.0114
 Raman1 Fr= 1--       0.127                  0.268                  0.034
 ROA1   Fr= 1--       1.336                 11.547                  3.303
 CID1   Fr= 1--      10.519                 43.141                 96.377
 Raman2 Fr= 1--       0.054                  0.114                  0.008
 ROA2   Fr= 1--       0.009                  1.949                  0.644
 CID2   Fr= 1--       0.162                 17.112                 85.843
 Raman3 Fr= 1--       0.109                  0.228                  0.015
 ROA3   Fr= 1--       1.336                 11.547                  3.303
 CID3   Fr= 1--      12.283                 50.695                220.093
 RC180  Fr= 1--       0.713                  0.702                 -0.124
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.02     0.03  -0.04  -0.09     0.01   0.01   0.03
     2   6     0.03  -0.01   0.09     0.03   0.01   0.02    -0.02   0.01  -0.07
     3   6     0.02   0.01  -0.14    -0.03  -0.05   0.04     0.02  -0.03  -0.06
     4   6     0.02  -0.02  -0.08     0.00   0.01  -0.10    -0.02  -0.02  -0.11
     5   8    -0.00  -0.02  -0.14     0.01  -0.05  -0.18    -0.00  -0.01  -0.05
     6   6    -0.01   0.04  -0.07    -0.05  -0.01  -0.01    -0.04  -0.03   0.03
     7   8     0.04  -0.00  -0.01     0.02   0.04  -0.27     0.06  -0.06   0.21
     8   1    -0.13  -0.02  -0.02     0.08  -0.17  -0.10    -0.02   0.14   0.05
     9   8    -0.06   0.02   0.32    -0.02   0.02   0.13     0.04   0.01  -0.21
    10   1     0.21  -0.09   0.10     0.13   0.03   0.02    -0.13   0.05  -0.07
    11   1     0.12   0.09  -0.14    -0.16  -0.19   0.04     0.09  -0.07  -0.06
    12   8    -0.02  -0.01  -0.30     0.02   0.02   0.28    -0.02  -0.00  -0.10
    13   6    -0.04  -0.02   0.09    -0.01  -0.05  -0.13    -0.02  -0.07  -0.14
    14   1     0.12  -0.04  -0.07     0.01   0.12  -0.10    -0.07  -0.01  -0.11
    15   8    -0.00  -0.00  -0.15    -0.01   0.01   0.15    -0.01   0.02   0.23
    16   1    -0.05   0.15  -0.08    -0.21  -0.04  -0.01    -0.14  -0.15   0.03
    17   1    -0.02  -0.03   0.11    -0.01  -0.05  -0.25     0.12   0.08   0.17
    18   1     0.00  -0.04   0.33    -0.01   0.05   0.23    -0.02   0.10  -0.18
    19   1     0.03  -0.00  -0.29    -0.11  -0.00   0.24    -0.02  -0.02  -0.06
    20   8     0.05   0.04   0.35     0.01   0.09   0.09     0.00   0.15   0.18
    21   1     0.03  -0.00   0.03     0.04   0.01  -0.33     0.08   0.01  -0.40
    22   1    -0.24  -0.11   0.10    -0.09  -0.27  -0.12    -0.16  -0.36  -0.12
    23   1     0.09  -0.15  -0.14     0.16   0.02   0.16     0.03   0.18   0.23
    24   1    -0.05   0.03   0.25    -0.03   0.07   0.25    -0.15   0.12   0.23
                      4                      5                      6
                      A                      A                      A
 Frequencies --    163.3489               184.5620               208.7790
 Red. masses --      3.3684                 1.7177                 3.0193
 Frc consts  --      0.0530                 0.0345                 0.0775
 IR Inten    --     22.0049               110.3395                10.8318
 RamAct Fr= 1--      0.2243                 0.4970                 0.2679
  Dep-P Fr= 1--      0.5631                 0.7472                 0.6958
  Dep-U Fr= 1--      0.7205                 0.8553                 0.8206
 Alpha2 Fr= 1--      0.0008                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0269                 0.0708                 0.0366
 AlphaG Fr= 1--     -0.0012                 0.0004                -0.0013
 Gamma2 Fr= 1--      0.0409                -0.0845                 0.0206
 Delta2 Fr= 1--     -0.0319                 0.0385                 0.0399
 Raman1 Fr= 1--       0.897                  1.988                  1.072
 ROA1   Fr= 1--       2.903                 -6.881                  3.252
 CID1   Fr= 1--       3.236                 -3.462                  3.034
 Raman2 Fr= 1--       0.323                  0.850                  0.440
 ROA2   Fr= 1--       1.236                 -2.336                  0.174
 CID2   Fr= 1--       3.824                 -2.747                  0.397
 Raman3 Fr= 1--       0.646                  1.700                  0.879
 ROA3   Fr= 1--       2.903                 -6.881                  3.252
 CID3   Fr= 1--       4.491                 -4.047                  3.698
 RC180  Fr= 1--       0.441                  0.711                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05   0.02     0.03  -0.03   0.01     0.02  -0.02  -0.04
     2   6    -0.01   0.00   0.05     0.02  -0.02   0.00     0.02  -0.00  -0.04
     3   6     0.01  -0.06   0.03     0.03   0.01   0.02    -0.02  -0.07  -0.04
     4   6    -0.02  -0.08   0.05    -0.01  -0.01   0.03     0.01  -0.07   0.00
     5   8    -0.03  -0.02   0.16    -0.01   0.01   0.07    -0.01  -0.10  -0.10
     6   6     0.01   0.00   0.05    -0.01  -0.02   0.01    -0.04  -0.03  -0.04
     7   8     0.15   0.02  -0.06    -0.09  -0.03  -0.05     0.08  -0.04   0.04
     8   1     0.03  -0.11   0.02     0.05  -0.07   0.00     0.00   0.03  -0.04
     9   8     0.01  -0.01   0.02     0.06   0.11  -0.01     0.02   0.05   0.01
    10   1    -0.03   0.01   0.05    -0.00  -0.02  -0.00     0.06  -0.01  -0.04
    11   1     0.03  -0.04   0.03     0.05   0.03   0.02    -0.06  -0.08  -0.04
    12   8    -0.02  -0.04  -0.01     0.04  -0.02  -0.03     0.02  -0.09   0.02
    13   6     0.04  -0.03  -0.08     0.01  -0.03  -0.04     0.04   0.16   0.16
    14   1    -0.13  -0.11   0.05    -0.06  -0.01   0.02     0.14  -0.10   0.01
    15   8    -0.06   0.00  -0.14     0.00  -0.04  -0.03    -0.08   0.04   0.04
    16   1     0.15   0.07   0.05     0.05  -0.02   0.01    -0.09  -0.06  -0.04
    17   1     0.34   0.26  -0.34    -0.39  -0.44   0.36    -0.00  -0.08   0.22
    18   1     0.05  -0.14  -0.17    -0.11   0.44   0.32    -0.03   0.17   0.16
    19   1    -0.19  -0.01  -0.21     0.22  -0.04   0.16     0.12  -0.11   0.14
    20   8    -0.08   0.22  -0.01    -0.02   0.06   0.01    -0.06   0.14  -0.06
    21   1     0.16   0.03  -0.26     0.03  -0.00  -0.15     0.16   0.09   0.48
    22   1     0.08  -0.21  -0.07     0.02  -0.14  -0.04     0.05   0.49   0.14
    23   1    -0.23  -0.05  -0.15    -0.10   0.00  -0.04    -0.02   0.08   0.05
    24   1    -0.26   0.18   0.04    -0.09   0.04   0.01    -0.16   0.14  -0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    234.2344               277.8699               286.3234
 Red. masses --      1.8785                 2.6265                 2.1024
 Frc consts  --      0.0607                 0.1195                 0.1015
 IR Inten    --     54.8219                44.3865                33.3485
 RamAct Fr= 1--      0.4108                 0.3838                 0.9241
  Dep-P Fr= 1--      0.5719                 0.6506                 0.7090
  Dep-U Fr= 1--      0.7276                 0.7883                 0.8297
 Alpha2 Fr= 1--      0.0014                 0.0007                 0.0007
 Beta2  Fr= 1--      0.0498                 0.0504                 0.1278
 AlphaG Fr= 1--     -0.0011                 0.0015                -0.0031
 Gamma2 Fr= 1--     -0.0685                -0.0678                 0.4862
 Delta2 Fr= 1--     -0.1587                 0.0153                 0.3221
 Raman1 Fr= 1--       1.643                  1.535                  3.697
 ROA1   Fr= 1--     -11.657                 -6.016                 56.980
 CID1   Fr= 1--      -7.094                 -3.919                 15.414
 Raman2 Fr= 1--       0.598                  0.605                  1.534
 ROA2   Fr= 1--      -0.375                 -1.749                  9.091
 CID2   Fr= 1--      -0.627                 -2.890                  5.928
 Raman3 Fr= 1--       1.196                  1.210                  3.067
 ROA3   Fr= 1--     -11.657                 -6.016                 56.980
 CID3   Fr= 1--      -9.750                 -4.971                 18.578
 RC180  Fr= 1--       0.455                  0.577                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.05   0.03    -0.03   0.05  -0.11    -0.00   0.03   0.07
     2   6    -0.05  -0.01   0.02    -0.04   0.03  -0.06    -0.03   0.01   0.05
     3   6    -0.01  -0.02   0.01    -0.03  -0.01  -0.11     0.00   0.02   0.06
     4   6     0.01   0.00  -0.00    -0.02  -0.01  -0.06    -0.04   0.03   0.03
     5   8    -0.00   0.01  -0.02    -0.02   0.08   0.11    -0.01  -0.01  -0.07
     6   6    -0.03  -0.02   0.00     0.02   0.00   0.01    -0.02   0.00   0.01
     7   8     0.08  -0.02  -0.00     0.13   0.03   0.04    -0.03   0.07  -0.01
     8   1    -0.01  -0.07   0.02    -0.09   0.14  -0.10     0.02  -0.02   0.07
     9   8     0.01   0.11  -0.04    -0.12  -0.10   0.00     0.01   0.02  -0.04
    10   1    -0.10  -0.01   0.01     0.02   0.08  -0.06    -0.09   0.01   0.04
    11   1    -0.00  -0.04   0.01    -0.13  -0.07  -0.11     0.07   0.07   0.06
    12   8    -0.09   0.06   0.01     0.05  -0.00   0.06     0.07  -0.11  -0.05
    13   6     0.00   0.01   0.03    -0.03   0.00  -0.02    -0.05   0.01   0.01
    14   1     0.04   0.01  -0.00    -0.07  -0.14  -0.06    -0.01   0.11   0.03
    15   8     0.07  -0.10  -0.00     0.08  -0.06  -0.03     0.10  -0.10   0.01
    16   1    -0.05   0.01   0.00     0.09  -0.03   0.01    -0.09   0.07   0.00
    17   1     0.19   0.13  -0.15     0.06   0.08   0.28     0.19   0.27  -0.43
    18   1    -0.20   0.53   0.38    -0.15   0.19   0.55    -0.03   0.07  -0.01
    19   1    -0.45   0.10  -0.36     0.27  -0.08   0.45     0.44  -0.12   0.25
    20   8     0.01  -0.04  -0.01    -0.01  -0.01   0.02    -0.07   0.03  -0.00
    21   1    -0.00  -0.01   0.10    -0.03  -0.00   0.00    -0.07   0.01  -0.01
    22   1     0.01   0.08   0.03    -0.08   0.02  -0.02    -0.04  -0.01   0.01
    23   1     0.06  -0.11  -0.00     0.10  -0.11  -0.03     0.37  -0.32   0.02
    24   1     0.08  -0.03   0.01    -0.02  -0.01   0.03    -0.18   0.02  -0.12
                     10                     11                     12
                      A                      A                      A
 Frequencies --    308.6687               315.7991               329.1754
 Red. masses --      1.6980                 2.4614                 2.0697
 Frc consts  --      0.0953                 0.1446                 0.1321
 IR Inten    --    142.2413                82.4892                28.0343
 RamAct Fr= 1--      0.4919                 0.6094                 3.3146
  Dep-P Fr= 1--      0.5074                 0.7364                 0.2930
  Dep-U Fr= 1--      0.6732                 0.8482                 0.4532
 Alpha2 Fr= 1--      0.0023                 0.0001                 0.0347
 Beta2  Fr= 1--      0.0552                 0.0862                 0.2504
 AlphaG Fr= 1--      0.0009                 0.0003                 0.0100
 Gamma2 Fr= 1--     -0.0527                 0.1201                -1.0129
 Delta2 Fr= 1--     -0.0763                -0.0517                -0.5243
 Raman1 Fr= 1--       1.968                  2.438                 13.258
 ROA1   Fr= 1--      -7.498                  9.877               -114.018
 CID1   Fr= 1--      -3.811                  4.052                 -8.600
 Raman2 Fr= 1--       0.662                  1.034                  3.004
 ROA2   Fr= 1--      -0.654                  3.297                -20.116
 CID2   Fr= 1--      -0.987                  3.189                 -6.696
 Raman3 Fr= 1--       1.325                  2.068                  6.009
 ROA3   Fr= 1--      -7.498                  9.877               -114.018
 CID3   Fr= 1--      -5.660                  4.777                -18.976
 RC180  Fr= 1--       0.346                  0.696                 -0.094
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.05    -0.02   0.04   0.06    -0.05  -0.05   0.05
     2   6    -0.03   0.02   0.08     0.00   0.02   0.05    -0.09   0.01   0.06
     3   6    -0.01  -0.02   0.02    -0.02   0.00   0.07    -0.02  -0.04  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.01   0.04     0.05  -0.01  -0.03
     5   8    -0.00  -0.01  -0.04     0.03  -0.07  -0.05     0.02   0.00  -0.01
     6   6    -0.00   0.03   0.04     0.02   0.05   0.03    -0.04   0.02   0.05
     7   8     0.12   0.06  -0.07    -0.02   0.08  -0.01     0.01  -0.00  -0.03
     8   1    -0.03  -0.10   0.04     0.01   0.00   0.06    -0.07  -0.11   0.04
     9   8     0.01  -0.02  -0.05    -0.00  -0.18  -0.09    -0.05   0.04  -0.03
    10   1    -0.12   0.03   0.07    -0.07   0.06   0.04    -0.16   0.02   0.06
    11   1     0.03  -0.02   0.02     0.01   0.04   0.07     0.04  -0.07  -0.00
    12   8    -0.07   0.02  -0.02    -0.00  -0.07  -0.02    -0.07  -0.01  -0.04
    13   6    -0.02  -0.01   0.01     0.04  -0.00  -0.02     0.10   0.03  -0.02
    14   1     0.02   0.02  -0.00     0.00   0.09   0.04     0.04  -0.01  -0.03
    15   8     0.03  -0.01  -0.01    -0.07   0.11  -0.03    -0.04  -0.00  -0.01
    16   1    -0.05   0.12   0.03    -0.01   0.13   0.03    -0.04   0.07   0.05
    17   1    -0.28  -0.32   0.65    -0.07  -0.00   0.06     0.10   0.10  -0.19
    18   1     0.06  -0.20  -0.34    -0.14   0.35   0.75    -0.10   0.06  -0.09
    19   1    -0.03  -0.01   0.09    -0.10   0.01  -0.32     0.34  -0.14   0.65
    20   8    -0.03  -0.01  -0.00     0.05   0.00   0.00     0.16  -0.01   0.01
    21   1    -0.02  -0.01   0.03     0.02   0.01  -0.08     0.11   0.02   0.01
    22   1    -0.01   0.01   0.01     0.07  -0.07  -0.02     0.09   0.06  -0.02
    23   1     0.25  -0.24   0.00     0.03  -0.03  -0.03    -0.37   0.19  -0.03
    24   1    -0.03  -0.01  -0.02     0.05   0.00   0.00     0.16  -0.01  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    346.9274               376.7895               394.6883
 Red. masses --      2.8544                 1.6268                 2.9212
 Frc consts  --      0.2024                 0.1361                 0.2681
 IR Inten    --     62.7561               202.4820                19.5818
 RamAct Fr= 1--      1.7373                 0.8381                 0.4032
  Dep-P Fr= 1--      0.4048                 0.6986                 0.3274
  Dep-U Fr= 1--      0.5763                 0.8225                 0.4932
 Alpha2 Fr= 1--      0.0127                 0.0008                 0.0038
 Beta2  Fr= 1--      0.1669                 0.1149                 0.0331
 AlphaG Fr= 1--     -0.0136                -0.0018                 0.0104
 Gamma2 Fr= 1--      0.3104                 0.4282                 0.1473
 Delta2 Fr= 1--      0.2634                 0.3185                 0.0096
 Raman1 Fr= 1--       6.949                  3.352                  1.613
 ROA1   Fr= 1--      38.228                 51.299                 14.451
 CID1   Fr= 1--       5.501                 15.302                  8.961
 Raman2 Fr= 1--       2.002                  1.379                  0.398
 ROA2   Fr= 1--       5.342                  7.728                  3.459
 CID2   Fr= 1--       2.668                  5.605                  8.698
 Raman3 Fr= 1--       4.005                  2.758                  0.795
 ROA3   Fr= 1--      38.228                 51.299                 14.451
 CID3   Fr= 1--       9.546                 18.603                 18.167
 RC180  Fr= 1--       0.153                  0.645                 -0.014
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.02     0.00  -0.03  -0.03    -0.01   0.00   0.00
     2   6     0.08  -0.04   0.01    -0.01   0.02  -0.05     0.05   0.01   0.13
     3   6     0.05   0.04   0.01     0.01  -0.02   0.01    -0.00  -0.02  -0.14
     4   6     0.01  -0.01   0.03     0.04  -0.04   0.06    -0.05  -0.04  -0.17
     5   8     0.01  -0.04  -0.03    -0.03   0.02   0.03     0.01  -0.03   0.06
     6   6     0.03  -0.02  -0.01    -0.01   0.03  -0.04    -0.00   0.01   0.13
     7   8     0.04  -0.03  -0.01    -0.03  -0.06   0.02    -0.08  -0.01   0.01
     8   1     0.08  -0.04   0.02     0.05   0.01  -0.03    -0.17  -0.02  -0.00
     9   8     0.10  -0.08  -0.01    -0.05   0.03   0.01     0.15   0.00  -0.04
    10   1     0.09  -0.05   0.01     0.01   0.00  -0.05    -0.00   0.11   0.13
    11   1     0.11   0.06   0.01    -0.01   0.02   0.01     0.00  -0.19  -0.14
    12   8    -0.11   0.21  -0.06    -0.05   0.02  -0.02     0.04   0.04   0.06
    13   6    -0.06  -0.07   0.05     0.08  -0.05   0.01    -0.06   0.09  -0.03
    14   1     0.06  -0.00   0.03     0.06  -0.06   0.06    -0.14  -0.19  -0.17
    15   8    -0.04   0.04  -0.00    -0.04   0.08   0.01    -0.09   0.00  -0.05
    16   1     0.01  -0.02  -0.01    -0.01  -0.00  -0.04    -0.00   0.14   0.12
    17   1     0.16   0.09  -0.23     0.03   0.00  -0.10     0.02   0.04  -0.20
    18   1     0.03   0.14   0.31    -0.01  -0.00   0.04     0.08   0.08  -0.05
    19   1     0.20   0.02   0.71     0.00  -0.02   0.13    -0.07   0.01   0.07
    20   8    -0.14  -0.03  -0.02     0.04   0.01  -0.02     0.03  -0.02   0.03
    21   1    -0.07  -0.07   0.03     0.10  -0.03  -0.06    -0.00   0.04   0.18
    22   1    -0.04  -0.08   0.05     0.15  -0.11   0.01    -0.21   0.28  -0.04
    23   1    -0.10   0.10  -0.00     0.78  -0.49   0.06     0.30  -0.52  -0.04
    24   1    -0.19  -0.03  -0.04     0.00   0.01   0.02     0.15   0.00   0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.8158               440.2589               476.0864
 Red. masses --      6.0846                 4.2911                 3.7806
 Frc consts  --      0.6258                 0.4900                 0.5049
 IR Inten    --      3.4372                15.7863                21.8730
 RamAct Fr= 1--      5.8871                 3.7414                10.6020
  Dep-P Fr= 1--      0.4628                 0.2469                 0.0676
  Dep-U Fr= 1--      0.6328                 0.3960                 0.1266
 Alpha2 Fr= 1--      0.0342                 0.0447                 0.2008
 Beta2  Fr= 1--      0.6209                 0.2469                 0.2237
 AlphaG Fr= 1--     -0.0043                 0.0032                -0.0084
 Gamma2 Fr= 1--     -0.0445                 0.0083                -0.1406
 Delta2 Fr= 1--     -0.1484                 0.1649                -0.1426
 Raman1 Fr= 1--      23.548                 14.965                 42.408
 ROA1   Fr= 1--      -9.025                  6.075                -18.060
 CID1   Fr= 1--      -0.383                  0.406                 -0.426
 Raman2 Fr= 1--       7.451                  2.963                  2.685
 ROA2   Fr= 1--       0.118                 -1.120                 -2.233
 CID2   Fr= 1--       0.016                 -0.378                 -0.832
 Raman3 Fr= 1--      14.901                  5.926                  5.369
 ROA3   Fr= 1--      -9.025                  6.075                -18.060
 CID3   Fr= 1--      -0.606                  1.025                 -3.364
 RC180  Fr= 1--       0.266                 -0.208                 -0.747
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.10   0.06     0.00  -0.12   0.04    -0.03   0.11  -0.03
     2   6    -0.07  -0.10   0.02    -0.08   0.04   0.11    -0.05   0.07   0.03
     3   6     0.19   0.12   0.06     0.10  -0.09  -0.05     0.06   0.03  -0.11
     4   6     0.01   0.13   0.02     0.10  -0.06  -0.08     0.09  -0.14   0.04
     5   8    -0.11   0.14  -0.05     0.00   0.16  -0.05    -0.00  -0.13  -0.06
     6   6    -0.21  -0.06  -0.01     0.01   0.20   0.05    -0.05  -0.02   0.07
     7   8     0.10  -0.10  -0.03    -0.08  -0.15  -0.02    -0.08   0.13   0.03
     8   1     0.12  -0.18   0.05    -0.05  -0.19   0.03    -0.14   0.17  -0.02
     9   8    -0.08  -0.12  -0.03    -0.07  -0.06  -0.05    -0.07   0.02  -0.02
    10   1    -0.12  -0.10   0.02    -0.16   0.12   0.11    -0.07   0.17   0.03
    11   1     0.26   0.19   0.05     0.14  -0.20  -0.05     0.03   0.06  -0.11
    12   8     0.24   0.12  -0.01     0.07  -0.01   0.04     0.10   0.12   0.01
    13   6     0.00   0.08   0.01    -0.00  -0.08   0.07     0.12  -0.14   0.09
    14   1     0.02   0.20   0.02     0.20  -0.12  -0.08     0.23  -0.25   0.05
    15   8    -0.23  -0.11  -0.00     0.14   0.12  -0.01    -0.01  -0.11  -0.01
    16   1    -0.29  -0.08  -0.00    -0.03   0.35   0.04    -0.10   0.05   0.06
    17   1     0.06  -0.14   0.05    -0.03  -0.17  -0.17    -0.11   0.08   0.04
    18   1    -0.06  -0.10   0.06    -0.07  -0.02   0.03    -0.04  -0.04  -0.08
    19   1     0.14   0.17  -0.21    -0.11   0.01  -0.15    -0.07   0.10  -0.04
    20   8     0.05   0.03  -0.01    -0.12   0.02  -0.01    -0.06   0.03  -0.06
    21   1    -0.01   0.07   0.04     0.08  -0.10   0.16     0.22  -0.12   0.02
    22   1     0.02   0.12   0.00    -0.05   0.03   0.06     0.23  -0.18   0.09
    23   1    -0.02  -0.31   0.01    -0.12   0.29  -0.02    -0.21  -0.06  -0.02
    24   1     0.19   0.04   0.13    -0.33   0.00  -0.23     0.10   0.01   0.54
                     19                     20                     21
                      A                      A                      A
 Frequencies --    488.3365               547.4900               598.7825
 Red. masses --      1.2263                 3.1492                 5.1469
 Frc consts  --      0.1723                 0.5562                 1.0873
 IR Inten    --    199.3456                49.2567                 2.5637
 RamAct Fr= 1--      2.0582                 1.0714                 0.9315
  Dep-P Fr= 1--      0.1716                 0.1776                 0.2759
  Dep-U Fr= 1--      0.2929                 0.3016                 0.4325
 Alpha2 Fr= 1--      0.0301                 0.0154                 0.0103
 Beta2  Fr= 1--      0.1005                 0.0539                 0.0671
 AlphaG Fr= 1--     -0.0012                 0.0061                 0.0070
 Gamma2 Fr= 1--     -0.4593                -0.0389                -0.1272
 Delta2 Fr= 1--     -0.6173                 0.0526                -0.0743
 Raman1 Fr= 1--       8.233                  4.286                  3.726
 ROA1   Fr= 1--     -63.842                 -2.052                -14.588
 CID1   Fr= 1--      -7.755                 -0.479                 -3.915
 Raman2 Fr= 1--       1.206                  0.646                  0.806
 ROA2   Fr= 1--      -6.084                 -1.354                 -2.459
 CID2   Fr= 1--      -5.045                 -2.095                 -3.052
 Raman3 Fr= 1--       2.412                  1.293                  1.611
 ROA3   Fr= 1--     -63.842                 -2.052                -14.588
 CID3   Fr= 1--     -26.473                 -1.587                 -9.053
 RC180  Fr= 1--      -0.414                 -0.397                 -0.135
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03   0.01     0.05   0.02   0.20    -0.13  -0.08   0.06
     2   6     0.00  -0.01   0.00    -0.02  -0.06  -0.08    -0.14  -0.11   0.01
     3   6    -0.01  -0.02   0.01     0.11  -0.09   0.04     0.00   0.07  -0.04
     4   6    -0.01   0.02   0.01    -0.01  -0.11  -0.14     0.05   0.07  -0.02
     5   8    -0.00   0.02  -0.00    -0.04   0.03   0.07     0.24  -0.15   0.03
     6   6     0.02   0.02  -0.01     0.02  -0.06  -0.14     0.18  -0.11   0.02
     7   8     0.01  -0.03  -0.01    -0.04   0.17  -0.04     0.05  -0.03  -0.03
     8   1     0.02  -0.05   0.01     0.18   0.01   0.20    -0.27  -0.17   0.05
     9   8     0.01  -0.00   0.00    -0.06  -0.01   0.02    -0.16   0.12  -0.02
    10   1    -0.00  -0.02   0.00    -0.08  -0.33  -0.09    -0.30  -0.27  -0.01
    11   1    -0.00  -0.00   0.01     0.35  -0.31   0.03     0.02   0.11  -0.04
    12   8    -0.02  -0.05  -0.03    -0.01   0.03  -0.01     0.14   0.05   0.01
    13   6    -0.02   0.04   0.00    -0.01   0.02  -0.01    -0.07   0.03  -0.02
    14   1    -0.00   0.03   0.01    -0.10  -0.20  -0.14     0.01   0.08  -0.02
    15   8     0.03   0.03   0.00     0.01   0.02   0.03    -0.07   0.14  -0.01
    16   1     0.02   0.03  -0.01     0.10  -0.21  -0.13     0.33  -0.17   0.03
    17   1     0.02  -0.02  -0.02    -0.11  -0.06  -0.09     0.06   0.08   0.04
    18   1     0.00   0.01   0.01    -0.03  -0.02   0.06    -0.26   0.17  -0.14
    19   1     0.05  -0.06   0.07    -0.12  -0.01   0.03     0.14   0.08  -0.07
    20   8    -0.05   0.01  -0.05     0.00   0.00   0.01    -0.09  -0.03   0.01
    21   1    -0.02   0.04   0.01     0.13  -0.04   0.25    -0.17   0.03  -0.07
    22   1     0.00   0.05   0.00    -0.15   0.26  -0.02    -0.12  -0.03  -0.01
    23   1     0.02   0.07   0.00     0.15   0.14   0.04     0.21  -0.08   0.01
    24   1     0.43   0.02   0.88     0.05   0.01   0.06    -0.06  -0.02  -0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --    617.9668               668.2766               895.9001
 Red. masses --      3.4433                 5.2924                 1.7691
 Frc consts  --      0.7747                 1.3926                 0.8366
 IR Inten    --     12.8700                31.6810                12.9066
 RamAct Fr= 1--      0.1717                 0.4747                 2.3039
  Dep-P Fr= 1--      0.7490                 0.6046                 0.2335
  Dep-U Fr= 1--      0.8565                 0.7535                 0.3786
 Alpha2 Fr= 1--      0.0000                 0.0013                 0.0286
 Beta2  Fr= 1--      0.0245                 0.0596                 0.1454
 AlphaG Fr= 1--      0.0001                 0.0021                 0.0026
 Gamma2 Fr= 1--      0.1037                -0.1973                 0.2702
 Delta2 Fr= 1--      0.0753                -0.0866                 0.1757
 Raman1 Fr= 1--       0.687                  1.899                  9.216
 ROA1   Fr= 1--      12.362                -21.713                 31.566
 CID1   Fr= 1--      18.004                -11.435                  3.425
 Raman2 Fr= 1--       0.294                  0.715                  1.745
 ROA2   Fr= 1--       1.886                 -4.043                  5.080
 CID2   Fr= 1--       6.413                 -5.651                  2.912
 Raman3 Fr= 1--       0.588                  1.431                  3.489
 ROA3   Fr= 1--      12.362                -21.713                 31.566
 CID3   Fr= 1--      21.020                -15.175                  9.046
 RC180  Fr= 1--       0.713                  0.507                 -0.243
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17  -0.02   0.04     0.05   0.04  -0.02    -0.06   0.01  -0.03
     2   6    -0.01  -0.17   0.08     0.03   0.03  -0.07    -0.01  -0.01  -0.01
     3   6    -0.09   0.04  -0.12     0.01  -0.07   0.04    -0.05   0.09   0.12
     4   6     0.05   0.02   0.03     0.20   0.11  -0.11    -0.03  -0.04  -0.09
     5   8    -0.05   0.15  -0.00     0.21   0.22  -0.03    -0.00   0.02  -0.01
     6   6    -0.01  -0.03  -0.13     0.04  -0.08   0.12     0.03  -0.01   0.03
     7   8     0.02   0.08  -0.01    -0.03   0.08   0.02     0.02  -0.03  -0.01
     8   1    -0.51  -0.07   0.03     0.20   0.14  -0.01     0.00  -0.02  -0.04
     9   8     0.17  -0.02   0.01    -0.02   0.02   0.01     0.02   0.00   0.01
    10   1    -0.04  -0.44   0.07     0.08   0.16  -0.06     0.02   0.01  -0.01
    11   1    -0.19   0.05  -0.12     0.00  -0.23   0.04    -0.09   0.18   0.12
    12   8     0.03  -0.04   0.04    -0.13  -0.14   0.00    -0.00   0.01  -0.01
    13   6     0.07  -0.08   0.05     0.03  -0.07   0.06     0.06  -0.13  -0.04
    14   1     0.20  -0.08   0.03     0.37   0.17  -0.11    -0.25   0.15  -0.09
    15   8    -0.03   0.03   0.03    -0.20  -0.09  -0.02     0.00   0.01  -0.00
    16   1    -0.04  -0.08  -0.13     0.01  -0.21   0.13     0.04  -0.01   0.03
    17   1     0.03   0.19   0.07    -0.05  -0.01  -0.02     0.04   0.13   0.09
    18   1    -0.03   0.16  -0.09     0.05  -0.04   0.05    -0.01   0.03  -0.01
    19   1     0.06  -0.01  -0.03    -0.04  -0.11  -0.02     0.22   0.10  -0.13
    20   8    -0.00   0.01  -0.02    -0.11  -0.01  -0.01     0.01   0.02   0.00
    21   1     0.04  -0.04  -0.09    -0.03  -0.07   0.03     0.32  -0.25   0.50
    22   1     0.18  -0.20   0.06    -0.01  -0.08   0.06    -0.15   0.40  -0.07
    23   1     0.10   0.16   0.04    -0.20  -0.42  -0.01    -0.02  -0.03  -0.01
    24   1    -0.09  -0.01   0.03    -0.16  -0.03   0.11    -0.20  -0.03   0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --    998.6163              1003.6123              1017.4478
 Red. masses --      4.4059                 4.7074                 4.2445
 Frc consts  --      2.5887                 2.7936                 2.5888
 IR Inten    --    195.6970               119.4872                33.4738
 RamAct Fr= 1--      0.3115                 2.7274                 1.5448
  Dep-P Fr= 1--      0.3012                 0.3870                 0.6157
  Dep-U Fr= 1--      0.4630                 0.5581                 0.7621
 Alpha2 Fr= 1--      0.0032                 0.0211                 0.0038
 Beta2  Fr= 1--      0.0240                 0.2537                 0.1962
 AlphaG Fr= 1--      0.0061                 0.0232                -0.0141
 Gamma2 Fr= 1--     -0.6454                 0.4205                 0.4460
 Delta2 Fr= 1--     -0.6591                 0.2118                 0.3268
 Raman1 Fr= 1--       1.246                 10.910                  6.179
 ROA1   Fr= 1--     -83.051                 47.145                 53.272
 CID1   Fr= 1--     -66.662                  4.321                  8.621
 Raman2 Fr= 1--       0.288                  3.044                  2.355
 ROA2   Fr= 1--     -10.217                  8.398                  8.090
 CID2   Fr= 1--     -35.423                  2.759                  3.436
 Raman3 Fr= 1--       0.577                  6.089                  4.709
 ROA3   Fr= 1--     -83.051                 47.145                 53.272
 CID3   Fr= 1--    -143.975                  7.743                 11.312
 RC180  Fr= 1--      -0.074                  0.116                  0.524
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.12   0.22     0.06   0.00   0.11     0.25  -0.00  -0.10
     2   6     0.11   0.20   0.09     0.07  -0.11  -0.10     0.06  -0.18   0.17
     3   6    -0.08   0.16  -0.10    -0.06   0.05  -0.10     0.08   0.17  -0.12
     4   6     0.00   0.04  -0.08    -0.20  -0.01   0.01     0.00   0.03   0.01
     5   8    -0.01  -0.04   0.05    -0.12   0.09  -0.15     0.03  -0.03   0.03
     6   6     0.07  -0.01  -0.16     0.21  -0.06   0.24    -0.10  -0.03  -0.03
     7   8     0.04  -0.17  -0.08     0.02  -0.01  -0.01    -0.00   0.08   0.06
     8   1    -0.13  -0.07   0.19     0.11   0.05   0.11     0.09   0.08  -0.08
     9   8    -0.07   0.02  -0.05    -0.07   0.04  -0.00    -0.12   0.01  -0.06
    10   1    -0.09   0.07   0.06    -0.07  -0.16  -0.11     0.02  -0.21   0.15
    11   1    -0.03  -0.01  -0.09     0.01  -0.03  -0.10    -0.22   0.27  -0.10
    12   8    -0.06  -0.05   0.05    -0.00  -0.00   0.02    -0.13  -0.10   0.07
    13   6     0.04  -0.03   0.06    -0.03  -0.08   0.13    -0.00  -0.05  -0.03
    14   1     0.05  -0.21  -0.08    -0.07  -0.16   0.00    -0.07   0.01   0.00
    15   8    -0.07  -0.10   0.03     0.03   0.07  -0.01     0.03   0.05  -0.01
    16   1     0.10  -0.06  -0.15     0.15  -0.17   0.22    -0.11   0.16  -0.02
    17   1     0.04  -0.24  -0.14     0.00  -0.20  -0.14    -0.04  -0.36  -0.26
    18   1     0.30  -0.25   0.26    -0.00  -0.02   0.04    -0.31   0.15  -0.21
    19   1     0.29   0.11  -0.18    -0.02  -0.00   0.01     0.10  -0.01  -0.05
    20   8     0.00   0.00  -0.01     0.10   0.05  -0.06     0.01   0.01   0.00
    21   1    -0.00  -0.01  -0.05    -0.02  -0.02  -0.09     0.04  -0.09   0.16
    22   1     0.08  -0.13   0.06     0.17  -0.24   0.13    -0.04   0.14  -0.04
    23   1     0.14   0.26   0.05    -0.33  -0.44  -0.04     0.11   0.12  -0.01
    24   1    -0.07  -0.01   0.04    -0.01   0.03  -0.01    -0.09  -0.01   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1045.9573              1064.9806              1072.9322
 Red. masses --      3.2127                 5.2163                 5.3903
 Frc consts  --      2.0709                 3.4858                 3.6560
 IR Inten    --     36.0156               272.7411               498.9436
 RamAct Fr= 1--      1.5640                 9.5582                 1.5591
  Dep-P Fr= 1--      0.7500                 0.4187                 0.3276
  Dep-U Fr= 1--      0.8571                 0.5903                 0.4936
 Alpha2 Fr= 1--      0.0000                 0.0661                 0.0147
 Beta2  Fr= 1--      0.2234                 0.9403                 0.1283
 AlphaG Fr= 1--     -0.0002                 0.0173                -0.0249
 Gamma2 Fr= 1--      1.2845                 1.7017                -1.2670
 Delta2 Fr= 1--      1.6114                 1.3916                -0.4661
 Raman1 Fr= 1--       6.256                 38.233                  6.236
 ROA1   Fr= 1--     174.878                207.894               -136.550
 CID1   Fr= 1--      27.954                  5.438                -21.896
 Raman2 Fr= 1--       2.681                 11.284                  1.539
 ROA2   Fr= 1--      17.937                 29.708                -26.681
 CID2   Fr= 1--       6.690                  2.633                -17.336
 Raman3 Fr= 1--       5.362                 22.568                  3.078
 ROA3   Fr= 1--     174.878                207.894               -136.550
 CID3   Fr= 1--      32.614                  9.212                -44.361
 RC180  Fr= 1--       0.714                  0.181                 -0.013
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.04  -0.08     0.02  -0.02   0.02     0.11   0.07   0.10
     2   6     0.05   0.09   0.15     0.08  -0.03   0.02    -0.06   0.04  -0.00
     3   6     0.11  -0.10  -0.02    -0.02   0.00  -0.03    -0.22  -0.12  -0.07
     4   6    -0.08  -0.03   0.15    -0.03  -0.06   0.05    -0.24  -0.11   0.12
     5   8     0.01   0.09  -0.06    -0.09   0.06  -0.07     0.30   0.12  -0.02
     6   6     0.18  -0.06  -0.09     0.12  -0.00   0.04    -0.19  -0.01  -0.06
     7   8    -0.03   0.03   0.02     0.00   0.01   0.01     0.02  -0.03  -0.01
     8   1    -0.32  -0.11  -0.08    -0.10  -0.03   0.02     0.20   0.14   0.10
     9   8    -0.05   0.02  -0.05    -0.06   0.03  -0.03     0.03  -0.03   0.02
    10   1     0.04   0.18   0.14     0.02  -0.07   0.01    -0.13  -0.07  -0.01
    11   1     0.04   0.14  -0.01    -0.10   0.16  -0.02    -0.29   0.03  -0.07
    12   8     0.02  -0.00  -0.01     0.00   0.00   0.00     0.09   0.08  -0.04
    13   6    -0.09  -0.06  -0.05     0.32   0.20  -0.17     0.05  -0.03  -0.02
    14   1    -0.19   0.19   0.14    -0.27   0.03   0.04    -0.27   0.03   0.10
    15   8    -0.08  -0.07   0.02    -0.02  -0.01   0.01     0.00   0.02  -0.01
    16   1     0.22  -0.06  -0.09     0.05  -0.00   0.03    -0.10  -0.11  -0.04
    17   1    -0.02   0.05   0.03    -0.01  -0.09  -0.07    -0.02  -0.41  -0.26
    18   1     0.05  -0.05   0.06     0.04  -0.04   0.05     0.00  -0.02  -0.03
    19   1    -0.39  -0.18   0.23    -0.05  -0.02   0.04    -0.15  -0.02   0.07
    20   8     0.06   0.04  -0.01    -0.24  -0.16   0.15     0.00  -0.01   0.01
    21   1    -0.03  -0.12   0.24     0.53   0.19  -0.10     0.06  -0.07   0.13
    22   1    -0.09   0.27  -0.08     0.24   0.11  -0.13     0.16   0.10  -0.02
    23   1     0.12   0.19   0.04    -0.09  -0.09   0.01     0.01  -0.05  -0.01
    24   1    -0.05   0.02   0.02     0.22  -0.07  -0.17    -0.15  -0.04   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1079.6943              1096.5275              1104.5110
 Red. masses --      2.4804                 3.6080                 3.1781
 Frc consts  --      1.7036                 2.5560                 2.2843
 IR Inten    --     29.9679               156.1710                78.4571
 RamAct Fr= 1--      7.1889                 5.2965                 9.9274
  Dep-P Fr= 1--      0.2653                 0.5827                 0.3189
  Dep-U Fr= 1--      0.4193                 0.7363                 0.4835
 Alpha2 Fr= 1--      0.0816                 0.0166                 0.0962
 Beta2  Fr= 1--      0.5024                 0.6500                 0.8000
 AlphaG Fr= 1--      0.0096                 0.0158                -0.0502
 Gamma2 Fr= 1--      0.0603                -2.6305                 1.3346
 Delta2 Fr= 1--     -0.7217                -1.4717                 0.7978
 Raman1 Fr= 1--      28.756                 21.186                 39.710
 ROA1   Fr= 1--     -17.309               -299.625                153.654
 CID1   Fr= 1--      -0.602                -14.143                  3.869
 Raman2 Fr= 1--       6.029                  7.800                  9.600
 ROA2   Fr= 1--       7.220                -51.360                 25.648
 CID2   Fr= 1--       1.198                 -6.585                  2.672
 Raman3 Fr= 1--      12.058                 15.600                 19.201
 ROA3   Fr= 1--     -17.309               -299.625                153.654
 CID3   Fr= 1--      -1.435                -19.207                  8.002
 RC180  Fr= 1--      -0.161                  0.473                 -0.033
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.12  -0.11    -0.07   0.26   0.01    -0.09  -0.03  -0.03
     2   6    -0.07  -0.05   0.14    -0.04  -0.08  -0.03     0.24  -0.02   0.09
     3   6    -0.09  -0.04   0.12     0.20   0.08  -0.00    -0.00  -0.00   0.12
     4   6    -0.03  -0.05  -0.09    -0.05  -0.13   0.09    -0.05  -0.11  -0.05
     5   8    -0.03   0.03  -0.01     0.09   0.04  -0.04     0.07   0.06   0.01
     6   6     0.12  -0.03  -0.04    -0.02   0.08   0.02    -0.13  -0.10  -0.01
     7   8     0.00  -0.03   0.00     0.01  -0.14  -0.09    -0.01  -0.00  -0.01
     8   1     0.38   0.12  -0.10    -0.07   0.27   0.00    -0.18  -0.21  -0.04
     9   8    -0.00  -0.02   0.00     0.03  -0.02   0.02    -0.11   0.05  -0.09
    10   1     0.03   0.06   0.15    -0.03  -0.31  -0.04     0.34   0.04   0.09
    11   1    -0.08  -0.20   0.11     0.37   0.06   0.01     0.05  -0.07   0.12
    12   8     0.03   0.05  -0.04    -0.08  -0.07   0.04     0.01   0.02  -0.02
    13   6     0.01   0.03   0.08    -0.05   0.04  -0.04    -0.03   0.04   0.06
    14   1     0.05  -0.14  -0.08    -0.02  -0.24   0.08     0.07  -0.16  -0.05
    15   8    -0.05  -0.03   0.01    -0.02  -0.02   0.01     0.05   0.07  -0.03
    16   1     0.19   0.12  -0.05    -0.01   0.06   0.03    -0.24  -0.15  -0.01
    17   1     0.01  -0.01  -0.01     0.05   0.32   0.24     0.03   0.39   0.24
    18   1    -0.35   0.24  -0.26    -0.24   0.18  -0.19     0.11  -0.12   0.11
    19   1     0.11   0.08  -0.07    -0.14  -0.09   0.07     0.12   0.06  -0.06
    20   8    -0.00  -0.01  -0.02    -0.00  -0.00   0.01     0.00  -0.00  -0.02
    21   1     0.04   0.11  -0.22     0.11   0.05  -0.03     0.11   0.12  -0.20
    22   1     0.03  -0.27   0.09    -0.04   0.01  -0.04    -0.04  -0.25   0.08
    23   1     0.18   0.23   0.03    -0.06  -0.11   0.01    -0.10  -0.14  -0.04
    24   1     0.12   0.02  -0.06     0.17   0.03  -0.09     0.19   0.03  -0.09
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1108.1681              1127.4217              1162.5486
 Red. masses --      2.7460                 3.0063                 2.8807
 Frc consts  --      1.9868                 2.2514                 2.2939
 IR Inten    --     37.0699                 6.6564                50.9659
 RamAct Fr= 1--      8.9843                 6.8791                 5.3283
  Dep-P Fr= 1--      0.7468                 0.7444                 0.5360
  Dep-U Fr= 1--      0.8550                 0.8535                 0.6979
 Alpha2 Fr= 1--      0.0005                 0.0006                 0.0220
 Beta2  Fr= 1--      1.2803                 0.9786                 0.6198
 AlphaG Fr= 1--     -0.0002                 0.0002                -0.0221
 Gamma2 Fr= 1--      3.0436                -1.1242                -0.1012
 Delta2 Fr= 1--      1.1189                -0.6974                 0.5629
 Raman1 Fr= 1--      35.937                 27.517                 21.313
 ROA1   Fr= 1--     327.994               -130.243                  8.295
 CID1   Fr= 1--       9.127                 -4.733                  0.389
 Raman2 Fr= 1--      15.364                 11.743                  7.437
 ROA2   Fr= 1--      64.096                -21.402                 -6.933
 CID2   Fr= 1--       4.172                 -1.823                 -0.932
 Raman3 Fr= 1--      30.728                 23.486                 14.874
 ROA3   Fr= 1--     327.994               -130.243                  8.295
 CID3   Fr= 1--      10.674                 -5.546                  0.558
 RC180  Fr= 1--       0.710                  0.707                  0.396
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.16   0.01     0.00   0.08   0.05    -0.01  -0.10  -0.01
     2   6     0.08  -0.05   0.05     0.14  -0.11  -0.01     0.08  -0.09  -0.08
     3   6     0.02  -0.13  -0.02    -0.14  -0.09   0.04     0.01   0.00  -0.01
     4   6    -0.02   0.22  -0.03     0.17  -0.06   0.07    -0.11   0.05  -0.05
     5   8    -0.05  -0.06   0.04    -0.04  -0.00   0.01     0.08  -0.03   0.02
     6   6    -0.05  -0.05   0.01     0.03   0.14   0.03     0.02   0.24  -0.01
     7   8     0.00  -0.07  -0.05     0.02  -0.02  -0.02    -0.01   0.05   0.02
     8   1    -0.05   0.18   0.01    -0.08   0.14   0.06    -0.01  -0.13  -0.01
     9   8    -0.04   0.01  -0.03    -0.07   0.03  -0.04    -0.03   0.02  -0.02
    10   1     0.13  -0.09   0.05     0.15  -0.38  -0.03     0.15  -0.23  -0.09
    11   1     0.19  -0.29  -0.03    -0.31   0.03   0.04     0.06  -0.03  -0.01
    12   8     0.04   0.01  -0.03     0.05   0.05  -0.04     0.01  -0.00  -0.00
    13   6     0.10  -0.06   0.04    -0.10   0.01  -0.12     0.04  -0.03   0.11
    14   1    -0.19   0.46  -0.03     0.36  -0.07   0.08    -0.41   0.11  -0.06
    15   8     0.04   0.04  -0.02    -0.03  -0.05   0.03    -0.08  -0.12   0.04
    16   1    -0.09  -0.03   0.01    -0.09   0.23   0.03     0.09   0.58  -0.00
    17   1     0.02   0.07   0.06     0.00  -0.16  -0.12    -0.00   0.15   0.09
    18   1    -0.12   0.07  -0.09    -0.05   0.01  -0.01     0.04  -0.03   0.05
    19   1    -0.41  -0.18   0.21     0.05   0.05  -0.04    -0.09  -0.04   0.06
    20   8    -0.02  -0.00   0.01     0.03   0.02   0.01     0.00   0.00  -0.02
    21   1    -0.07  -0.10   0.12    -0.28  -0.07   0.14     0.15   0.03  -0.08
    22   1     0.16   0.06   0.04    -0.11   0.30  -0.15    -0.03  -0.23   0.12
    23   1    -0.00  -0.01  -0.02    -0.12  -0.13   0.02     0.12   0.19   0.06
    24   1    -0.23  -0.05   0.09    -0.10  -0.01   0.08     0.03   0.01  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1190.5145              1226.9305              1239.4790
 Red. masses --      1.1523                 1.2482                 1.1481
 Frc consts  --      0.9622                 1.1070                 1.0392
 IR Inten    --     14.7525                 6.8903                18.7035
 RamAct Fr= 1--      2.7632                 2.1964                 5.5061
  Dep-P Fr= 1--      0.7475                 0.5166                 0.7418
  Dep-U Fr= 1--      0.8555                 0.6812                 0.8518
 Alpha2 Fr= 1--      0.0001                 0.0100                 0.0008
 Beta2  Fr= 1--      0.3940                 0.2494                 0.7817
 AlphaG Fr= 1--     -0.0010                 0.0017                 0.0066
 Gamma2 Fr= 1--     -2.7717                 1.6331                 0.0230
 Delta2 Fr= 1--     -1.9186                 1.1149                -0.1076
 Raman1 Fr= 1--      11.053                  8.786                 22.024
 ROA1   Fr= 1--    -327.483                192.453                 -1.234
 CID1   Fr= 1--     -29.629                 21.905                 -0.056
 Raman2 Fr= 1--       4.728                  2.993                  9.380
 ROA2   Fr= 1--     -51.173                 30.275                  1.413
 CID2   Fr= 1--     -10.824                 10.117                  0.151
 Raman3 Fr= 1--       9.455                  5.985                 18.760
 ROA3   Fr= 1--    -327.483                192.453                 -1.234
 CID3   Fr= 1--     -34.635                 32.156                 -0.066
 RC180  Fr= 1--       0.711                  0.362                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04  -0.01    -0.06  -0.03   0.09     0.02   0.00   0.02
     2   6    -0.02   0.02  -0.00     0.03  -0.02  -0.04    -0.00  -0.02   0.03
     3   6     0.01  -0.03   0.03    -0.02   0.01  -0.04    -0.06   0.02  -0.04
     4   6     0.04  -0.01  -0.04     0.03  -0.00   0.02     0.03  -0.00  -0.02
     5   8    -0.01  -0.01   0.01    -0.00   0.01   0.00    -0.01   0.00   0.01
     6   6    -0.01   0.01   0.00    -0.01  -0.03   0.01     0.00  -0.01  -0.00
     7   8     0.01  -0.01   0.00     0.02   0.00  -0.01    -0.03  -0.01  -0.01
     8   1    -0.32   0.09  -0.01     0.11   0.21   0.11     0.56  -0.17   0.01
     9   8     0.01  -0.00   0.00    -0.01  -0.02   0.01    -0.00   0.01  -0.01
    10   1    -0.16  -0.21  -0.02     0.44   0.53   0.02    -0.17  -0.07   0.01
    11   1    -0.23   0.29   0.04     0.09   0.20  -0.03    -0.01   0.39  -0.04
    12   8     0.01  -0.00  -0.01     0.01  -0.01   0.01     0.03  -0.02  -0.00
    13   6    -0.03  -0.01   0.05    -0.02  -0.01  -0.00    -0.01  -0.01  -0.01
    14   1    -0.05   0.29  -0.03     0.03   0.06   0.02     0.15  -0.00  -0.01
    15   8     0.01   0.01   0.00    -0.01  -0.00  -0.01     0.00   0.00  -0.00
    16   1     0.01  -0.12   0.00    -0.02   0.14   0.01    -0.03   0.05  -0.00
    17   1    -0.01  -0.23  -0.15    -0.01  -0.14  -0.09     0.02   0.37   0.25
    18   1     0.07  -0.05   0.05    -0.27   0.18  -0.21     0.13  -0.09   0.10
    19   1    -0.15  -0.08   0.10    -0.07  -0.04   0.05    -0.34  -0.17   0.19
    20   8    -0.00   0.00  -0.02    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1     0.38   0.07  -0.08     0.23   0.01   0.00     0.08  -0.00   0.01
    22   1    -0.37  -0.19   0.06    -0.22  -0.03   0.00    -0.11   0.01  -0.01
    23   1    -0.07  -0.09  -0.00     0.15   0.17  -0.00     0.01   0.03  -0.00
    24   1     0.27   0.06  -0.15     0.14   0.03  -0.07     0.03   0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1264.6112              1271.3132              1312.8602
 Red. masses --      1.2876                 1.2692                 1.1561
 Frc consts  --      1.2133                 1.2086                 1.1741
 IR Inten    --     52.7781                48.7167                13.5180
 RamAct Fr= 1--      4.1278                 3.7993                 2.9832
  Dep-P Fr= 1--      0.1565                 0.5420                 0.7471
  Dep-U Fr= 1--      0.2707                 0.7029                 0.8553
 Alpha2 Fr= 1--      0.0628                 0.0152                 0.0001
 Beta2  Fr= 1--      0.1862                 0.4451                 0.4252
 AlphaG Fr= 1--      0.0346                -0.0085                -0.0008
 Gamma2 Fr= 1--     -0.7604                 0.7298                 0.3944
 Delta2 Fr= 1--     -0.8858                -0.3576                 0.4820
 Raman1 Fr= 1--      16.511                 15.197                 11.933
 ROA1   Fr= 1--    -101.348                 58.618                 53.283
 CID1   Fr= 1--      -6.138                  3.857                  4.465
 Raman2 Fr= 1--       2.235                  5.341                  5.103
 ROA2   Fr= 1--     -11.164                 20.377                  5.608
 CID2   Fr= 1--      -4.996                  3.815                  1.099
 Raman3 Fr= 1--       4.469                 10.683                 10.205
 ROA3   Fr= 1--    -101.348                 58.618                 53.283
 CID3   Fr= 1--     -22.676                  5.487                  5.221
 RC180  Fr= 1--      -0.459                  0.406                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.00    -0.00  -0.00   0.01     0.03   0.00   0.01
     2   6    -0.01   0.10   0.03     0.00  -0.00  -0.02     0.01   0.01  -0.01
     3   6    -0.01   0.01  -0.02     0.02   0.02   0.07    -0.00   0.00  -0.02
     4   6    -0.00   0.00  -0.02    -0.02  -0.05  -0.10    -0.06  -0.02  -0.01
     5   8     0.00  -0.02   0.01     0.00   0.01   0.01    -0.01  -0.01   0.00
     6   6     0.02   0.08  -0.05    -0.01   0.00   0.01    -0.06   0.02   0.04
     7   8    -0.00   0.01   0.01     0.01   0.00   0.00    -0.01  -0.00  -0.00
     8   1     0.16  -0.18  -0.01    -0.27   0.08   0.01    -0.08  -0.16  -0.01
     9   8    -0.00  -0.03  -0.01     0.00  -0.00   0.01    -0.00  -0.01  -0.00
    10   1     0.46  -0.30   0.06     0.03   0.09  -0.02     0.08  -0.06  -0.00
    11   1     0.08   0.14  -0.02    -0.03   0.53   0.07    -0.01  -0.09  -0.02
    12   8     0.00  -0.01   0.01     0.01  -0.02  -0.01    -0.00   0.00   0.00
    13   6     0.01   0.00   0.01     0.03   0.03   0.02    -0.03  -0.01  -0.02
    14   1    -0.03   0.02  -0.02     0.12  -0.07  -0.10     0.53   0.39  -0.00
    15   8     0.01  -0.00   0.03    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    16   1     0.02  -0.40  -0.04     0.08   0.03   0.02     0.55  -0.14   0.07
    17   1    -0.00  -0.01  -0.00    -0.01  -0.14  -0.09     0.00   0.10   0.07
    18   1    -0.31   0.21  -0.23    -0.04   0.02  -0.03    -0.05   0.03  -0.03
    19   1    -0.03  -0.02   0.02    -0.30  -0.14   0.17     0.07   0.03  -0.04
    20   8     0.00  -0.00  -0.00     0.01  -0.00   0.01    -0.00  -0.00   0.01
    21   1    -0.04   0.00  -0.01    -0.43   0.01  -0.07     0.19  -0.01   0.03
    22   1     0.01  -0.02   0.01     0.37   0.01   0.01     0.21   0.06  -0.03
    23   1    -0.28  -0.38  -0.00     0.07   0.07   0.00     0.15   0.16   0.01
    24   1    -0.04  -0.01   0.02    -0.21  -0.05   0.10     0.09   0.02  -0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1336.0048              1348.0457              1359.0615
 Red. masses --      1.3464                 1.2617                 1.2778
 Frc consts  --      1.4159                 1.3509                 1.3906
 IR Inten    --     49.2949                25.7250                 6.1995
 RamAct Fr= 1--      0.6954                 3.5508                 1.7636
  Dep-P Fr= 1--      0.6149                 0.7068                 0.3096
  Dep-U Fr= 1--      0.7616                 0.8282                 0.4728
 Alpha2 Fr= 1--      0.0017                 0.0027                 0.0176
 Beta2  Fr= 1--      0.0883                 0.4901                 0.1390
 AlphaG Fr= 1--      0.0060                 0.0041                 0.0286
 Gamma2 Fr= 1--     -0.2643                 0.0144                 0.2275
 Delta2 Fr= 1--     -0.1926                 1.4243                 0.2107
 Raman1 Fr= 1--       2.782                 14.203                  7.055
 ROA1   Fr= 1--     -31.541                 46.957                 28.579
 CID1   Fr= 1--     -11.338                  3.306                  4.051
 Raman2 Fr= 1--       1.059                  5.882                  1.668
 ROA2   Fr= 1--      -4.804                -11.049                  3.774
 CID2   Fr= 1--      -4.535                 -1.879                  2.263
 Raman3 Fr= 1--       2.118                 11.763                  3.336
 ROA3   Fr= 1--     -31.541                 46.957                 28.579
 CID3   Fr= 1--     -14.888                  3.992                  8.568
 RC180  Fr= 1--       0.523                  0.656                 -0.054
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01  -0.06    -0.07  -0.02  -0.03     0.00  -0.01   0.02
     2   6    -0.02  -0.01   0.02    -0.04  -0.02   0.06     0.01  -0.01  -0.01
     3   6    -0.04   0.06   0.04     0.01  -0.03  -0.03     0.03  -0.03  -0.03
     4   6    -0.06   0.05  -0.01     0.01  -0.05  -0.00    -0.04  -0.05  -0.03
     5   8     0.02  -0.01   0.02    -0.00   0.00  -0.01     0.01  -0.00   0.05
     6   6     0.02   0.01  -0.03    -0.02  -0.00  -0.00     0.07  -0.00  -0.06
     7   8     0.03   0.01   0.02     0.01   0.00  -0.01    -0.01  -0.00  -0.01
     8   1     0.05   0.10  -0.05     0.31   0.50   0.03     0.04   0.09   0.03
     9   8     0.00   0.01  -0.01     0.00   0.03  -0.03     0.00  -0.01   0.02
    10   1     0.02  -0.08   0.02     0.18  -0.17   0.08    -0.19   0.18  -0.02
    11   1     0.38  -0.13   0.03     0.27   0.18  -0.04    -0.12   0.06  -0.03
    12   8     0.02  -0.02  -0.01    -0.02   0.01   0.03    -0.02   0.01   0.01
    13   6    -0.04  -0.04  -0.03     0.01   0.03   0.02    -0.04  -0.00   0.01
    14   1     0.40  -0.25   0.00    -0.07   0.32  -0.01     0.15   0.53  -0.02
    15   8     0.00   0.00   0.01     0.00   0.00   0.01    -0.00   0.01   0.02
    16   1    -0.17   0.11  -0.04     0.25   0.01   0.01    -0.47   0.21  -0.08
    17   1    -0.02  -0.33  -0.21    -0.01  -0.13  -0.08     0.01   0.11   0.07
    18   1     0.14  -0.09   0.10     0.29  -0.19   0.21    -0.08   0.06  -0.06
    19   1    -0.22  -0.12   0.13     0.19   0.10  -0.11     0.17   0.08  -0.09
    20   8    -0.01   0.00   0.02     0.01  -0.00  -0.01    -0.00   0.00   0.01
    21   1     0.34  -0.03   0.07    -0.14   0.03  -0.04     0.04   0.00   0.00
    22   1     0.25   0.08  -0.04    -0.03  -0.05   0.02     0.37   0.01  -0.00
    23   1    -0.11  -0.11   0.00    -0.04  -0.04   0.01    -0.18  -0.22   0.00
    24   1     0.16   0.03  -0.09    -0.09  -0.02   0.06     0.08   0.02  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1369.0188              1387.8244              1401.0182
 Red. masses --      1.2102                 1.3746                 1.3501
 Frc consts  --      1.3364                 1.5599                 1.5614
 IR Inten    --      9.1533                21.6589                 4.7874
 RamAct Fr= 1--      0.7101                 4.2591                 7.8531
  Dep-P Fr= 1--      0.5984                 0.5699                 0.7493
  Dep-U Fr= 1--      0.7488                 0.7260                 0.8567
 Alpha2 Fr= 1--      0.0020                 0.0145                 0.0001
 Beta2  Fr= 1--      0.0886                 0.5154                 1.1213
 AlphaG Fr= 1--     -0.0006                 0.0054                 0.0006
 Gamma2 Fr= 1--      0.7961                -1.7121                 1.3334
 Delta2 Fr= 1--      0.4493                -1.5559                -0.2769
 Raman1 Fr= 1--       2.840                 17.036                 31.412
 ROA1   Fr= 1--      90.800               -214.149                119.147
 CID1   Fr= 1--      31.968                -12.570                  3.793
 Raman2 Fr= 1--       1.063                  6.185                 13.455
 ROA2   Fr= 1--      15.512                -28.643                 34.217
 CID2   Fr= 1--      14.587                 -4.631                  2.543
 Raman3 Fr= 1--       2.127                 12.369                 26.910
 ROA3   Fr= 1--      90.800               -214.149                119.147
 CID3   Fr= 1--      42.693                -17.313                  4.428
 RC180  Fr= 1--       0.498                  0.452                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05  -0.04     0.04  -0.02   0.01     0.01  -0.04   0.01
     2   6     0.03  -0.01  -0.02    -0.00  -0.09   0.02    -0.03   0.07  -0.01
     3   6    -0.06  -0.01  -0.02    -0.00   0.04   0.01     0.05  -0.00   0.01
     4   6    -0.00  -0.04   0.02    -0.04   0.01   0.01    -0.09   0.02   0.01
     5   8    -0.00   0.01   0.01    -0.00  -0.01   0.01     0.00   0.00   0.02
     6   6     0.01  -0.00   0.00    -0.00   0.07  -0.09     0.04  -0.06   0.02
     7   8     0.01   0.01   0.03    -0.01  -0.00  -0.02    -0.01  -0.00  -0.01
     8   1    -0.10  -0.42  -0.09    -0.12   0.21   0.04    -0.05   0.19   0.03
     9   8    -0.00  -0.01   0.02    -0.00   0.01   0.00     0.00  -0.00  -0.01
    10   1    -0.22   0.06  -0.05    -0.15   0.53   0.02     0.21  -0.32   0.00
    11   1     0.64   0.11  -0.04    -0.05  -0.16   0.02    -0.21  -0.04   0.02
    12   8    -0.01   0.00   0.03     0.01  -0.00  -0.01    -0.00   0.00  -0.01
    13   6     0.04   0.03   0.00     0.05   0.02  -0.00     0.07   0.03  -0.01
    14   1     0.11   0.24   0.02     0.22  -0.04   0.01     0.49  -0.04   0.03
    15   8    -0.00  -0.00  -0.00     0.01   0.01   0.04    -0.00   0.00  -0.01
    16   1    -0.12   0.05  -0.00     0.29  -0.16  -0.08    -0.26   0.29   0.01
    17   1    -0.00  -0.15  -0.10     0.00   0.11   0.07     0.00   0.08   0.05
    18   1    -0.08   0.05  -0.06     0.06  -0.04   0.04    -0.02   0.01  -0.01
    19   1     0.06   0.04  -0.05    -0.11  -0.05   0.06     0.01   0.01  -0.01
    20   8     0.01  -0.01  -0.02     0.01  -0.01  -0.01     0.02  -0.02  -0.02
    21   1    -0.09   0.03  -0.04    -0.02   0.02  -0.03     0.03   0.04  -0.07
    22   1    -0.32  -0.06   0.02    -0.33  -0.03   0.01    -0.43  -0.01   0.01
    23   1     0.02   0.03  -0.00    -0.28  -0.36   0.01     0.06   0.08  -0.00
    24   1    -0.20  -0.05   0.11    -0.21  -0.05   0.10    -0.32  -0.08   0.15
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1420.2443              1434.1415              1437.4329
 Red. masses --      1.6410                 1.4871                 1.2815
 Frc consts  --      1.9502                 1.8020                 1.5600
 IR Inten    --      3.3538                20.7562                30.3004
 RamAct Fr= 1--      9.8366                 5.3896                 1.2385
  Dep-P Fr= 1--      0.6938                 0.7135                 0.6249
  Dep-U Fr= 1--      0.8192                 0.8328                 0.7692
 Alpha2 Fr= 1--      0.0097                 0.0034                 0.0028
 Beta2  Fr= 1--      1.3431                 0.7481                 0.1588
 AlphaG Fr= 1--     -0.0110                 0.0043                 0.0282
 Gamma2 Fr= 1--     -0.5630                 0.6588                -0.3072
 Delta2 Fr= 1--     -0.4285                 0.6939                -0.5260
 Raman1 Fr= 1--      39.347                 21.558                  4.954
 ROA1   Fr= 1--     -67.755                 85.446                -46.327
 CID1   Fr= 1--      -1.722                  3.963                 -9.351
 Raman2 Fr= 1--      16.117                  8.977                  1.905
 ROA2   Fr= 1--     -10.083                 10.259                 -3.165
 CID2   Fr= 1--      -0.626                  1.143                 -1.661
 Raman3 Fr= 1--      32.234                 17.954                  3.810
 ROA3   Fr= 1--     -67.755                 85.446                -46.327
 CID3   Fr= 1--      -2.102                  4.759                -12.158
 RC180  Fr= 1--       0.638                  0.666                  0.538
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.03   0.02     0.09  -0.00   0.00     0.01   0.05   0.01
     2   6    -0.14  -0.04  -0.01    -0.03  -0.03   0.01    -0.03   0.01  -0.02
     3   6    -0.07   0.07   0.00    -0.03  -0.13  -0.00     0.01  -0.06  -0.00
     4   6     0.04  -0.06   0.01    -0.02   0.09  -0.00     0.00   0.04  -0.00
     5   8     0.00   0.00   0.01     0.01  -0.01  -0.00    -0.00   0.00  -0.01
     6   6     0.03  -0.01   0.01     0.02   0.04   0.01    -0.03  -0.09  -0.05
     7   8    -0.01  -0.01  -0.01    -0.02  -0.00  -0.02    -0.00  -0.00   0.01
     8   1    -0.35  -0.15  -0.00    -0.26   0.17   0.02    -0.07  -0.27  -0.03
     9   8     0.01   0.02  -0.03    -0.00   0.01  -0.01     0.01  -0.00  -0.00
    10   1     0.64   0.04   0.07     0.07   0.07   0.02     0.14  -0.00  -0.01
    11   1     0.15  -0.23  -0.01     0.28   0.48  -0.01    -0.01   0.20  -0.00
    12   8     0.01  -0.01  -0.01    -0.02   0.02   0.03    -0.01   0.01   0.01
    13   6    -0.01   0.00   0.00    -0.04  -0.01  -0.00    -0.00  -0.02  -0.00
    14   1    -0.12   0.24   0.00     0.04  -0.33   0.00    -0.03  -0.16  -0.01
    15   8     0.00   0.01  -0.00    -0.00  -0.00  -0.01     0.01   0.02   0.05
    16   1    -0.21   0.07  -0.00    -0.14  -0.24   0.01     0.42   0.66  -0.07
    17   1     0.01   0.15   0.10     0.01   0.23   0.14     0.00  -0.00  -0.01
    18   1     0.24  -0.15   0.18     0.05  -0.03   0.04     0.02  -0.01   0.01
    19   1    -0.14  -0.07   0.08     0.26   0.14  -0.15     0.11   0.06  -0.06
    20   8    -0.00   0.01   0.00     0.01  -0.01  -0.00    -0.01   0.00   0.00
    21   1    -0.08  -0.01   0.04     0.34   0.05  -0.05     0.01  -0.01  -0.00
    22   1     0.05  -0.04   0.00     0.12   0.06  -0.01     0.02   0.04  -0.01
    23   1    -0.00   0.01  -0.00     0.05   0.07  -0.01    -0.25  -0.32   0.02
    24   1     0.05   0.02  -0.03    -0.11  -0.04   0.06     0.09   0.02  -0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1442.0102              1449.5452              1510.5133
 Red. masses --      1.5265                 1.3288                 1.0914
 Frc consts  --      1.8702                 1.6450                 1.4672
 IR Inten    --     11.5461               122.5622                 1.3023
 RamAct Fr= 1--      5.2426                 3.9586                 6.0888
  Dep-P Fr= 1--      0.6534                 0.2301                 0.7346
  Dep-U Fr= 1--      0.7904                 0.3741                 0.8470
 Alpha2 Fr= 1--      0.0091                 0.0496                 0.0016
 Beta2  Fr= 1--      0.6906                 0.2468                 0.8595
 AlphaG Fr= 1--      0.0122                 0.0381                -0.0034
 Gamma2 Fr= 1--      0.7453                -0.8208                -0.1468
 Delta2 Fr= 1--      0.5543                -0.4571                -0.0033
 Raman1 Fr= 1--      20.970                 15.834                 24.355
 ROA1   Fr= 1--      89.289                -93.420                -14.197
 CID1   Fr= 1--       4.258                 -5.900                 -0.583
 Raman2 Fr= 1--       8.287                  2.962                 10.314
 ROA2   Fr= 1--      13.453                -16.042                 -3.496
 CID2   Fr= 1--       1.623                 -5.417                 -0.339
 Raman3 Fr= 1--      16.574                  5.923                 20.628
 ROA3   Fr= 1--      89.289                -93.420                -14.197
 CID3   Fr= 1--       5.387                -15.772                 -0.688
 RC180  Fr= 1--       0.581                 -0.252                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.10  -0.01     0.00   0.01  -0.00     0.00  -0.00  -0.00
     2   6     0.05   0.09   0.00    -0.01  -0.02   0.00     0.00   0.00   0.00
     3   6    -0.10   0.05   0.01     0.01  -0.04   0.00    -0.01   0.01   0.00
     4   6     0.04  -0.02   0.01    -0.07   0.02  -0.01     0.00  -0.01   0.00
     5   8    -0.01   0.01  -0.01     0.01  -0.01   0.01     0.00   0.00  -0.00
     6   6    -0.02  -0.04  -0.00     0.01   0.03   0.00    -0.00   0.00  -0.00
     7   8    -0.02  -0.01  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.26   0.55   0.06    -0.02  -0.01  -0.00    -0.01   0.01  -0.00
     9   8    -0.01  -0.02   0.02     0.00   0.01  -0.00    -0.00  -0.00   0.00
    10   1    -0.26  -0.23  -0.04     0.04   0.06   0.01    -0.00  -0.00  -0.00
    11   1     0.38  -0.09  -0.01     0.03   0.14   0.00     0.02  -0.05   0.00
    12   8     0.01  -0.01  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.00
    13   6     0.00  -0.02  -0.01     0.10  -0.07  -0.01     0.01  -0.06   0.05
    14   1    -0.09   0.03   0.00     0.21  -0.07  -0.00    -0.04   0.05   0.00
    15   8     0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00  -0.00
    16   1     0.15   0.21  -0.01    -0.11  -0.12   0.00    -0.00  -0.00  -0.00
    17   1     0.01   0.24   0.16     0.00   0.01   0.00     0.00  -0.00  -0.00
    18   1    -0.20   0.13  -0.14     0.04  -0.03   0.03    -0.00   0.00  -0.00
    19   1    -0.07  -0.04   0.05     0.12   0.06  -0.06    -0.01  -0.01   0.01
    20   8    -0.01   0.01   0.00    -0.04   0.05   0.01    -0.01  -0.00   0.01
    21   1    -0.11  -0.05   0.07    -0.52  -0.18   0.13    -0.00   0.15  -0.69
    22   1    -0.00  -0.02  -0.00    -0.25   0.06  -0.01    -0.05   0.70  -0.02
    23   1    -0.04  -0.05   0.01     0.02   0.03  -0.00     0.00   0.00  -0.00
    24   1     0.17   0.05  -0.08     0.59   0.17  -0.27     0.04   0.00  -0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2988.6849              2993.5419              2998.0415
 Red. masses --      1.0786                 1.0810                 1.0763
 Frc consts  --      5.6765                 5.7073                 5.6999
 IR Inten    --      1.1306                16.4676                54.1404
 RamAct Fr= 1--    119.8044               401.9193                24.5088
  Dep-P Fr= 1--      0.1395                 0.1517                 0.3497
  Dep-U Fr= 1--      0.2448                 0.2635                 0.5182
 Alpha2 Fr= 1--      1.9018                 6.1862                 0.2154
 Beta2  Fr= 1--      4.8888                17.6487                 2.1167
 AlphaG Fr= 1--      0.5926                 0.8653                -0.0593
 Gamma2 Fr= 1--     11.0583                 3.0859                -0.8565
 Delta2 Fr= 1--     10.3571                -0.5250                -0.0157
 Raman1 Fr= 1--     479.218               1607.677                 98.035
 ROA1   Fr= 1--    1393.025                279.446                -82.725
 CID1   Fr= 1--       2.907                  0.174                 -0.844
 Raman2 Fr= 1--      58.665                211.785                 25.401
 ROA2   Fr= 1--     182.542                 78.262                -20.430
 CID2   Fr= 1--       3.112                  0.370                 -0.804
 Raman3 Fr= 1--     117.330                423.569                 50.802
 ROA3   Fr= 1--    1393.025                279.446                -82.725
 CID3   Fr= 1--      11.873                  0.660                 -1.628
 RC180  Fr= 1--      -0.510                 -0.473                  0.036
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.02     0.00  -0.01   0.03    -0.00   0.01  -0.03
     2   6     0.00   0.00  -0.02     0.01   0.00  -0.07     0.00   0.00  -0.01
     3   6     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.05
     4   6    -0.00  -0.00  -0.06     0.00   0.00   0.02     0.00  -0.00  -0.03
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.00   0.02  -0.20     0.00   0.04  -0.39    -0.00  -0.04   0.41
     9   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   1    -0.02  -0.01   0.25    -0.08  -0.02   0.84    -0.01  -0.00   0.09
    11   1    -0.00   0.00  -0.17    -0.00  -0.00   0.01    -0.01   0.01  -0.55
    12   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00   0.04    -0.00   0.00  -0.02    -0.00   0.01  -0.05
    14   1    -0.02  -0.00   0.79     0.01  -0.00  -0.21    -0.01  -0.00   0.34
    15   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   1     0.01  -0.00  -0.04     0.00  -0.00  -0.13     0.00  -0.00  -0.06
    17   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    20   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1    -0.01   0.07   0.03     0.00  -0.04  -0.02     0.01  -0.15  -0.05
    22   1    -0.01  -0.04  -0.48     0.00   0.02   0.25     0.01   0.05   0.60
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3001.7005              3016.5424              3025.6609
 Red. masses --      1.0793                 1.0847                 1.0859
 Frc consts  --      5.7299                 5.8153                 5.8571
 IR Inten    --     15.1709               118.0177               159.1189
 RamAct Fr= 1--     51.8314                60.3092                75.9575
  Dep-P Fr= 1--      0.1536                 0.1504                 0.1841
  Dep-U Fr= 1--      0.2663                 0.2614                 0.3110
 Alpha2 Fr= 1--      0.7940                 0.9314                 1.0756
 Beta2  Fr= 1--      2.3001                 2.6278                 3.9368
 AlphaG Fr= 1--     -0.0715                -0.4038                -1.0802
 Gamma2 Fr= 1--    -12.2734                 3.8430                -3.1610
 Delta2 Fr= 1--    -13.9939                 4.0168                 3.0971
 Raman1 Fr= 1--     207.326                241.237                303.830
 ROA1   Fr= 1--   -1626.054                497.466               -204.347
 CID1   Fr= 1--      -7.843                  2.062                 -0.673
 Raman2 Fr= 1--      27.601                 31.534                 47.241
 ROA2   Fr= 1--    -182.611                 60.097               -100.640
 CID2   Fr= 1--      -6.616                  1.906                 -2.130
 Raman3 Fr= 1--      55.202                 63.068                 94.483
 ROA3   Fr= 1--   -1626.054                497.466               -204.347
 CID3   Fr= 1--     -29.457                  7.888                 -2.163
 RC180  Fr= 1--      -0.467                 -0.477                 -0.378
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.05     0.00   0.00  -0.03     0.00   0.00  -0.02
     2   6     0.00   0.00  -0.03     0.00   0.00  -0.01     0.00   0.00  -0.02
     3   6     0.00   0.00   0.02    -0.00  -0.00  -0.06    -0.00   0.00  -0.01
     4   6    -0.00   0.00   0.03    -0.00  -0.00  -0.03     0.00   0.00  -0.01
     5   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.01    -0.00   0.00   0.03     0.00  -0.00  -0.08
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.01  -0.07   0.63    -0.00  -0.05   0.41    -0.00  -0.03   0.23
     9   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    10   1    -0.03  -0.01   0.34    -0.02  -0.01   0.15    -0.03  -0.00   0.26
    11   1    -0.00  -0.00  -0.24     0.02  -0.00   0.76     0.01  -0.00   0.18
    12   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   6     0.00  -0.01   0.04    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    14   1     0.01   0.00  -0.32    -0.01   0.01   0.30    -0.01  -0.00   0.07
    15   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1     0.00  -0.00  -0.18     0.01  -0.01  -0.32    -0.02   0.03   0.91
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   8    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    21   1    -0.01   0.13   0.04     0.00  -0.06  -0.02     0.00  -0.01  -0.00
    22   1    -0.01  -0.04  -0.51     0.01   0.01   0.16     0.00   0.00   0.01
    23   1     0.00  -0.00   0.00     0.00   0.00   0.01    -0.01  -0.01  -0.02
    24   1     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3091.3593              3689.0799              3745.2960
 Red. masses --      1.0946                 1.0661                 1.0655
 Frc consts  --      6.1633                 8.5485                 8.8061
 IR Inten    --     48.0723               241.9152                63.0936
 RamAct Fr= 1--    139.0183                84.9494                98.8194
  Dep-P Fr= 1--      0.3257                 0.1085                 0.1517
  Dep-U Fr= 1--      0.4914                 0.1958                 0.2634
 Alpha2 Fr= 1--      1.3182                 1.4565                 1.5210
 Beta2  Fr= 1--     11.3856                 2.7726                 4.3389
 AlphaG Fr= 1--     -0.7774                -0.0824                -0.1304
 Gamma2 Fr= 1--     -7.3220                -1.1050                -0.7130
 Delta2 Fr= 1--     -3.2611                -0.5278                -0.4518
 Raman1 Fr= 1--     556.073                339.798                395.278
 ROA1   Fr= 1--    -807.268               -122.965                -82.905
 CID1   Fr= 1--      -1.452                 -0.362                 -0.210
 Raman2 Fr= 1--     136.628                 33.271                 52.067
 ROA2   Fr= 1--    -149.640                -22.296                -13.498
 CID2   Fr= 1--      -1.095                 -0.670                 -0.259
 Raman3 Fr= 1--     273.255                 66.541                104.133
 ROA3   Fr= 1--    -807.268               -122.965                -82.905
 CID3   Fr= 1--      -2.954                 -1.848                 -0.796
 RC180  Fr= 1--      -0.017                 -0.608                 -0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6     0.01  -0.08  -0.04     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.06    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.06
    16   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.02
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    18   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.02  -0.01   0.01
    19   1     0.00  -0.00   0.00    -0.02   0.05   0.02     0.00  -0.00  -0.00
    20   8    -0.00   0.00   0.00     0.01  -0.06  -0.00    -0.00  -0.00  -0.00
    21   1    -0.09   0.93   0.25     0.00   0.02   0.00    -0.00   0.00   0.00
    22   1     0.01   0.00   0.21     0.00   0.00  -0.01    -0.00   0.00  -0.00
    23   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.07  -0.02   1.00
    24   1     0.01  -0.02  -0.01    -0.16   0.98   0.07    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3777.3103              3784.6471              3786.3208
 Red. masses --      1.0661                 1.0662                 1.0661
 Frc consts  --      8.9625                 8.9977                 9.0052
 IR Inten    --     80.1614                61.3010               111.8137
 RamAct Fr= 1--     97.0415                75.4949               167.6594
  Dep-P Fr= 1--      0.1724                 0.3465                 0.1072
  Dep-U Fr= 1--      0.2942                 0.5147                 0.1937
 Alpha2 Fr= 1--      1.4164                 0.6703                 2.8840
 Beta2  Fr= 1--      4.7577                 6.4760                 5.4116
 AlphaG Fr= 1--     -0.6052                -0.3693                 0.4359
 Gamma2 Fr= 1--     -5.3106                11.1773                -7.6473
 Delta2 Fr= 1--      0.0625                 5.5738                -3.8474
 Raman1 Fr= 1--     388.166                301.980                670.638
 ROA1   Fr= 1--    -507.816               1251.379               -857.258
 CID1   Fr= 1--      -1.308                  4.144                 -1.278
 Raman2 Fr= 1--      57.092                 77.712                 64.939
 ROA2   Fr= 1--    -127.954                223.663               -152.756
 CID2   Fr= 1--      -2.241                  2.878                 -2.352
 Raman3 Fr= 1--     114.185                155.424                129.879
 ROA3   Fr= 1--    -507.816               1251.379               -857.258
 CID3   Fr= 1--      -4.447                  8.051                 -6.600
 RC180  Fr= 1--      -0.412                  0.029                 -0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.02  -0.01   0.01    -0.05   0.02  -0.02
     8   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8    -0.00  -0.00   0.00    -0.04  -0.04   0.02    -0.01  -0.01   0.01
    10   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8     0.01  -0.06  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    16   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1     0.04  -0.02   0.01    -0.28   0.10  -0.10     0.84  -0.31   0.31
    18   1     0.00   0.00  -0.00     0.68   0.60  -0.27     0.22   0.20  -0.09
    19   1    -0.21   0.92   0.31    -0.00   0.01   0.00     0.01  -0.04  -0.01
    20   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.02     0.00   0.00   0.00
    24   1     0.01  -0.05  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1375.855292459.359913661.59676
           X            0.99998  -0.00648   0.00108
           Y            0.00649   0.99997  -0.00422
           Z           -0.00105   0.00423   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06295     0.03522     0.02365
 Rotational constants (GHZ):           1.31172     0.73383     0.49288
 Zero-point vibrational energy     514642.7 (Joules/Mol)
                                  123.00255 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     95.27   146.80   164.07   235.02   265.54
          (Kelvin)            300.39   337.01   399.79   411.96   444.11
                              454.36   473.61   499.15   542.12   567.87
                              601.14   633.43   684.98   702.61   787.72
                              861.51   889.12   961.50  1289.00  1436.79
                             1443.97  1463.88  1504.90  1532.27  1543.71
                             1553.44  1577.66  1589.14  1594.41  1622.11
                             1672.65  1712.88  1765.28  1783.33  1819.49
                             1829.14  1888.91  1922.21  1939.54  1955.39
                             1969.71  1996.77  2015.75  2043.41  2063.41
                             2068.15  2074.73  2085.57  2173.29  4300.05
                             4307.04  4313.51  4318.78  4340.13  4353.25
                             4447.78  5307.76  5388.65  5434.71  5445.26
                             5447.67
 
 Zero-point correction=                           0.196017 (Hartree/Particle)
 Thermal correction to Energy=                    0.208676
 Thermal correction to Enthalpy=                  0.209621
 Thermal correction to Gibbs Free Energy=         0.158085
 Sum of electronic and zero-point Energies=           -687.327987
 Sum of electronic and thermal Energies=              -687.315328
 Sum of electronic and thermal Enthalpies=            -687.314384
 Sum of electronic and thermal Free Energies=         -687.365919
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  130.946             48.035            108.466
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.894
 Vibrational            129.169             42.074             36.100
 Vibration     1          0.598              1.970              4.263
 Vibration     2          0.604              1.948              3.415
 Vibration     3          0.607              1.938              3.199
 Vibration     4          0.623              1.887              2.511
 Vibration     5          0.631              1.861              2.282
 Vibration     6          0.642              1.827              2.054
 Vibration     7          0.654              1.788              1.846
 Vibration     8          0.679              1.714              1.547
 Vibration     9          0.684              1.699              1.496
 Vibration    10          0.698              1.657              1.369
 Vibration    11          0.703              1.643              1.332
 Vibration    12          0.712              1.617              1.264
 Vibration    13          0.725              1.582              1.180
 Vibration    14          0.747              1.520              1.052
 Vibration    15          0.762              1.482              0.982
 Vibration    16          0.781              1.432              0.899
 Vibration    17          0.800              1.382              0.826
 Vibration    18          0.833              1.303              0.721
 Vibration    19          0.844              1.276              0.688
 Vibration    20          0.903              1.145              0.549
 Vibration    21          0.957              1.034              0.452
 Vibration    22          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.193159D-72        -72.714085       -167.430367
 Total V=0       0.280167D+18         17.447417         40.174161
 Vib (Bot)       0.161415D-86        -86.792055       -199.846092
 Vib (Bot)    1  0.311612D+01          0.493614          1.136588
 Vib (Bot)    2  0.201055D+01          0.303316          0.698410
 Vib (Bot)    3  0.179454D+01          0.253952          0.584747
 Vib (Bot)    4  0.123634D+01          0.092139          0.212158
 Vib (Bot)    5  0.108652D+01          0.036039          0.082982
 Vib (Bot)    6  0.951786D+00         -0.021461         -0.049415
 Vib (Bot)    7  0.839290D+00         -0.076088         -0.175199
 Vib (Bot)    8  0.692687D+00         -0.159463         -0.367176
 Vib (Bot)    9  0.669224D+00         -0.174429         -0.401637
 Vib (Bot)   10  0.613080D+00         -0.212483         -0.489261
 Vib (Bot)   11  0.596746D+00         -0.224210         -0.516263
 Vib (Bot)   12  0.567906D+00         -0.245724         -0.565800
 Vib (Bot)   13  0.532867D+00         -0.273381         -0.629484
 Vib (Bot)   14  0.480932D+00         -0.317916         -0.732030
 Vib (Bot)   15  0.453336D+00         -0.343580         -0.791122
 Vib (Bot)   16  0.420955D+00         -0.375764         -0.865229
 Vib (Bot)   17  0.392576D+00         -0.406076         -0.935024
 Vib (Bot)   18  0.352471D+00         -0.452877         -1.042787
 Vib (Bot)   19  0.340024D+00         -0.468490         -1.078739
 Vib (Bot)   20  0.287330D+00         -0.541620         -1.247125
 Vib (Bot)   21  0.249684D+00         -0.602609         -1.387559
 Vib (Bot)   22  0.237155D+00         -0.624967         -1.439040
 Vib (V=0)       0.234124D+04          3.369446          7.758437
 Vib (V=0)    1  0.365598D+01          0.563003          1.296363
 Vib (V=0)    2  0.257179D+01          0.410236          0.944603
 Vib (V=0)    3  0.236289D+01          0.373444          0.859886
 Vib (V=0)    4  0.183362D+01          0.263309          0.606292
 Vib (V=0)    5  0.169605D+01          0.229438          0.528301
 Vib (V=0)    6  0.157513D+01          0.197315          0.454336
 Vib (V=0)    7  0.147694D+01          0.169362          0.389971
 Vib (V=0)    8  0.135429D+01          0.131712          0.303279
 Vib (V=0)    9  0.133538D+01          0.125605          0.289216
 Vib (V=0)   10  0.129112D+01          0.110966          0.255508
 Vib (V=0)   11  0.127853D+01          0.106710          0.245710
 Vib (V=0)   12  0.125665D+01          0.099214          0.228448
 Vib (V=0)   13  0.123072D+01          0.090158          0.207597
 Vib (V=0)   14  0.119375D+01          0.076915          0.177103
 Vib (V=0)   15  0.117492D+01          0.070007          0.161198
 Vib (V=0)   16  0.115361D+01          0.062058          0.142894
 Vib (V=0)   17  0.113570D+01          0.055264          0.127250
 Vib (V=0)   18  0.111175D+01          0.046006          0.105934
 Vib (V=0)   19  0.110466D+01          0.043230          0.099540
 Vib (V=0)   20  0.107668D+01          0.032086          0.073881
 Vib (V=0)   21  0.105888D+01          0.024845          0.057208
 Vib (V=0)   22  0.105339D+01          0.022590          0.052015
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.126002D+07          6.100378         14.046640
 
                                                          ROA calculations.
                                                             IR Spectrum
 
    3333 3                3333222                                     11111111111111111111111111111                                  
    7777 6                0000999                                     544444433333322221111100000009  8     6655444433333322221111   
    8874 8                9210998                                     154332086543176329620098764109  9     61948741974210873086106  
    6575 9                1672849                                     102740189986315971378570356749  6     88978608577969684953426  
 
    XXXX X                XXXXXXX                                     XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X     XXXXXXXXXXXXXXXXXXXXXXX  
    XXXX X                XXX X                                        X         X XX   X  XX XX  XX           XX    XX XX XX X      
    X XX X                 XX                                          X                   XX XX  XX            X    XX XX    X      
    X    X                 XX                                          X                    X XX  XX            X    X   X    X      
         X                 XX                                          X                    X XX  XX            X    X   X           
         X                 X                                                                X XX   X            X    X   X           
         X                                                                                    XX   X            X    X               
         X                                                                                    XX   X            X    X               
         X                                                                                    XX                                     
         X                                                                                    XX                                     
                                                                                              XX                                     
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000202   -0.000000913   -0.000003077
      2        6          -0.000000221    0.000000051   -0.000003223
      3        6          -0.000000164    0.000000559   -0.000000352
      4        6           0.000002064   -0.000000012    0.000003133
      5        8           0.000000013   -0.000000945    0.000003487
      6        6          -0.000001996    0.000000218   -0.000000039
      7        8          -0.000000781    0.000001530   -0.000005054
      8        1           0.000002135   -0.000002018   -0.000002937
      9        8           0.000001358    0.000000341   -0.000005345
     10        1          -0.000001711    0.000002186   -0.000002855
     11        1          -0.000002283    0.000002158    0.000000094
     12        8           0.000000376   -0.000000858   -0.000001046
     13        6          -0.000002994   -0.000001557    0.000006517
     14        1           0.000001918   -0.000002253    0.000002051
     15        8          -0.000000123    0.000000647   -0.000000202
     16        1           0.000002127   -0.000002255    0.000000130
     17        1           0.000000745    0.000000048   -0.000007037
     18        1          -0.000000009   -0.000000252   -0.000005362
     19        1           0.000000395   -0.000000062   -0.000000994
     20        8           0.000002311   -0.000000256    0.000005249
     21        1          -0.000000018   -0.000000002    0.000007142
     22        1          -0.000001969    0.000002206    0.000005099
     23        1          -0.000001587    0.000001885    0.000000232
     24        1           0.000000214   -0.000000446    0.000004387
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007142 RMS     0.000002521
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.125098D+03  0.139369D+01 -0.682774D+00
      2   0.139369D+01  0.113614D+03 -0.166624D+01
      3  -0.682774D+00 -0.166624D+01  0.970024D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.194433D+01 -0.485807D+01  0.639339D+01
      2  -0.346342D+01 -0.383938D+00  0.542369D+01
      3  -0.777153D+01 -0.126571D+02  0.189849D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.322966D+02 -0.106207D+02 -0.170980D+02
      2  -0.255959D+02  0.107778D+02  0.133922D+02
      3  -0.670069D+01 -0.157163D+00  0.370575D+01
      4  -0.213626D+02 -0.581391D+01 -0.113830D+01
      5  -0.104583D+02 -0.308913D+01  0.879590D+01
      6   0.220652D+00  0.129972D+02 -0.112813D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.330957D+01  0.261655D+01 -0.837900D+00  0.176048D+01  0.263324D+01
      2   0.261655D+01  0.265472D+01  0.276613D+00  0.263324D+01 -0.444444D+01
      3  -0.837900D+00  0.276613D+00 -0.671625D+00  0.388884D+00 -0.144632D+01
                 6             7             8             9            10 
      1   0.388884D+00 -0.118566D+01  0.664435D+00 -0.436013D+00  0.415669D+01
      2  -0.144632D+01  0.664435D+00 -0.275251D+01 -0.116084D+01 -0.243567D+01
      3   0.559182D+00 -0.436013D+00 -0.116084D+01  0.109325D+02  0.144380D+01
                11            12            13            14            15 
      1  -0.243567D+01  0.144380D+01 -0.332785D+01 -0.259623D+01 -0.681643D+00
      2  -0.167435D+01 -0.332290D+00 -0.259623D+01  0.208451D+01  0.856717D+00
      3  -0.332290D+00 -0.912959D+00 -0.681643D+00  0.856717D+00  0.135742D+01
                16            17            18            19            20 
      1   0.253548D+01 -0.112223D+01  0.886134D+00  0.151009D+01 -0.290248D+01
      2  -0.112223D+01  0.130955D+01  0.513626D+00 -0.290248D+01 -0.240091D+01
      3   0.886134D+00  0.513626D+00 -0.110451D+02  0.106191D+01  0.341175D+00
                21            22            23            24            25 
      1   0.106191D+01 -0.435837D+01 -0.353242D+01  0.190362D+00  0.225351D+01
      2   0.341175D+00 -0.353242D+01  0.289226D+01  0.116377D+01  0.410548D+00
      3   0.834433D+00  0.190362D+00  0.116377D+01  0.144801D+01 -0.168074D+00
                26            27            28            29            30 
      1   0.410548D+00 -0.168074D+00  0.478091D+00  0.409757D+01 -0.119394D+01
      2   0.227478D+01  0.474169D+00  0.409757D+01  0.212770D+01 -0.664386D-01
      3   0.474169D+00 -0.106676D+02 -0.119394D+01 -0.664386D-01 -0.109912D+01
                31            32            33            34            35 
      1   0.439806D+01  0.330870D+01  0.142215D+00 -0.177790D+01  0.226417D+00
      2   0.330870D+01 -0.406961D+01 -0.110048D+01  0.226417D+00 -0.220372D+01
      3   0.142215D+00 -0.110048D+01 -0.921182D+00 -0.729771D+00  0.870501D-01
                36            37            38            39            40 
      1  -0.729771D+00  0.279749D+01 -0.359948D+01  0.606671D+00 -0.507188D+01
      2   0.870501D-01 -0.359948D+01 -0.332244D+00 -0.684084D+00 -0.117331D+01
      3   0.112157D+02  0.606671D+00 -0.684084D+00  0.141209D+00 -0.195649D+00
                41            42            43            44            45 
      1  -0.117331D+01 -0.195649D+00  0.387148D+01  0.308157D+00  0.266739D+00
      2  -0.411798D+01  0.121349D+01  0.308157D+00  0.182629D+01 -0.115373D+01
      3   0.121349D+01  0.851941D+00  0.266739D+00 -0.115373D+01 -0.134915D+01
                46            47            48            49            50 
      1  -0.517239D+01  0.767798D+00 -0.174232D+00  0.378303D+01  0.254457D+01
      2   0.767798D+00  0.181446D+01  0.119396D+01  0.254457D+01 -0.184815D+01
      3  -0.174232D+00  0.119396D+01 -0.838062D+00  0.269813D+00 -0.624481D+00
                51            52            53            54            55 
      1   0.269813D+00 -0.238436D+01  0.366830D+00  0.145740D+00  0.473533D+01
      2  -0.624481D+00  0.366830D+00 -0.209587D+01  0.437224D+00 -0.100452D+01
      3  -0.250879D+01  0.145740D+00  0.437224D+00  0.108881D+02  0.181796D+01
                56            57            58            59            60 
      1  -0.100452D+01  0.181796D+01 -0.628625D+00  0.127813D+00 -0.444698D+00
      2   0.222322D+01 -0.346411D+00  0.127813D+00  0.893305D+01  0.173149D+01
      3  -0.346411D+00  0.118310D+01 -0.444698D+00  0.173149D+01 -0.667383D+00
                61            62            63            64            65 
      1   0.271690D+01 -0.134799D+01  0.776972D-01  0.555781D+00 -0.433452D+00
      2  -0.134799D+01  0.417308D+01  0.201301D+01 -0.433452D+00 -0.438998D+00
      3   0.776972D-01  0.201301D+01  0.379540D+00 -0.107583D+01 -0.271495D-01
                66            67            68            69            70 
      1  -0.107583D+01 -0.172811D+00 -0.410766D+00  0.859666D-02 -0.211520D+01
      2  -0.271495D-01 -0.410766D+00  0.105111D+01 -0.124393D+01  0.923386D-01
      3   0.269085D+00  0.859666D-02 -0.124393D+01  0.669982D+00 -0.199774D-01
                71            72            73            74            75 
      1   0.923386D-01 -0.199774D-01 -0.402245D+01  0.410360D+01 -0.188347D+01
      2  -0.220338D+01  0.114642D+01  0.410360D+01  0.829523D+00 -0.357452D+00
      3   0.114642D+01 -0.950650D+01 -0.188347D+01 -0.357452D+00  0.138798D+01
                76            77            78            79            80 
      1   0.719689D+01 -0.715350D+00  0.304970D-01 -0.479629D+01  0.549669D-03
      2  -0.715350D+00  0.346996D+01 -0.130654D+01  0.549669D-03 -0.171319D+01
      3   0.304970D-01 -0.130654D+01  0.613356D+00 -0.178247D+01  0.668567D+00
                81            82            83            84            85 
      1  -0.178247D+01 -0.901107D+00  0.465772D+00  0.122894D+01  0.429534D+00
      2   0.668567D+00  0.465772D+00  0.282881D+00  0.681402D-01  0.303210D+00
      3  -0.467773D+00  0.122894D+01  0.681402D-01 -0.445688D+00  0.848133D-01
                86            87            88            89            90 
      1   0.303210D+00  0.848133D-01  0.229036D+01  0.168496D+00 -0.102805D+01
      2  -0.569457D+00  0.118638D+01  0.168496D+00  0.196436D+01 -0.282557D+00
      3   0.118638D+01 -0.535904D+00 -0.102805D+01 -0.282557D+00  0.954283D+01
                91            92            93            94            95 
      1  -0.229016D+00  0.322170D+00  0.118962D+01  0.495539D+00  0.566859D+00
      2   0.322170D+00  0.586403D+00  0.527945D-01  0.566859D+00 -0.447824D+00
      3   0.118962D+01  0.527945D-01  0.747900D-01  0.720168D-01  0.102245D+01
                96            97            98            99           100 
      1   0.720168D-01  0.219214D+01 -0.493971D-01  0.480621D+00  0.702810D+01
      2   0.102245D+01 -0.493971D-01  0.202966D+01  0.267239D+00  0.254017D+01
      3  -0.322622D+00  0.480621D+00  0.267239D+00  0.947231D+01 -0.104390D+01
               101           102           103           104           105 
      1   0.254017D+01 -0.104390D+01  0.104946D+01  0.344762D+01  0.138860D+00
      2   0.362004D+01  0.181251D+00  0.344762D+01 -0.355622D+01 -0.172536D+01
      3   0.181251D+00 -0.402694D+00  0.138860D+00 -0.172536D+01 -0.143845D+01
               106           107           108           109           110 
      1  -0.250694D+01 -0.693322D+00  0.143966D+01  0.317701D+00 -0.368207D+01
      2  -0.693322D+00 -0.346196D+01  0.610918D+00 -0.368207D+01  0.510812D+00
      3   0.143966D+01  0.610918D+00 -0.279712D+00  0.206905D+01 -0.564419D+00
               111           112           113           114           115 
      1   0.206905D+01 -0.391145D+01 -0.243112D+01  0.522211D-01  0.364367D+01
      2  -0.564419D+00 -0.243112D+01  0.851554D+01  0.175711D+01 -0.426086D-01
      3   0.144038D+01  0.522211D-01  0.175711D+01 -0.284698D+00 -0.268323D+00
               116           117           118           119           120 
      1  -0.426086D-01 -0.268323D+00  0.909897D+00 -0.698881D+00 -0.131535D+01
      2   0.205966D+01  0.139341D+01 -0.698881D+00 -0.134097D+00 -0.645173D-01
      3   0.139341D+01 -0.989818D+01 -0.131535D+01 -0.645173D-01  0.823716D+00
               121           122           123           124           125 
      1  -0.787595D+00 -0.148282D+00 -0.109563D+00 -0.286388D+01 -0.187612D+00
      2  -0.148282D+00  0.321518D+00 -0.111558D+01 -0.187612D+00 -0.163853D+01
      3  -0.109563D+00 -0.111558D+01 -0.162418D+00  0.120445D+01 -0.538481D+00
               126           127           128           129           130 
      1   0.120445D+01 -0.437985D+01 -0.267914D+01 -0.156887D+00 -0.314428D+01
      2  -0.538481D+00 -0.267914D+01 -0.259768D+01 -0.486183D+00 -0.328287D+01
      3  -0.977146D+01 -0.156887D+00 -0.486183D+00  0.127567D+01 -0.509703D+00
               131           132           133           134           135 
      1  -0.328287D+01 -0.509703D+00 -0.859078D+00 -0.105703D+01  0.740581D+00
      2  -0.668021D+01 -0.220904D+00 -0.105703D+01 -0.163493D+01  0.446247D+00
      3  -0.220904D+00  0.968363D+00  0.740581D+00  0.446247D+00 -0.702196D+01
               136           137           138           139           140 
      1   0.114319D+00 -0.437623D+00 -0.134220D+01 -0.603567D+00 -0.646715D+00
      2  -0.437623D+00 -0.453317D+00 -0.134386D+00 -0.646715D+00 -0.340392D+00
      3  -0.134220D+01 -0.134386D+00 -0.181586D+00  0.999823D-01 -0.111237D+01
               141           142           143           144           145 
      1   0.999823D-01 -0.263580D+01 -0.381205D+00 -0.113341D+01 -0.618602D+01
      2  -0.111237D+01 -0.381205D+00 -0.174221D+01 -0.144832D+01  0.343741D+01
      3  -0.281468D+00 -0.113341D+01 -0.144832D+01 -0.975841D+01 -0.791311D+00
               146           147           148           149           150 
      1   0.343741D+01 -0.791311D+00  0.278597D+01 -0.214952D+01  0.223848D+00
      2  -0.435565D+01  0.184851D+00 -0.214952D+01  0.300322D+01 -0.291110D+00
      3   0.184851D+00 -0.145629D+01  0.223848D+00 -0.291110D+00  0.104198D+01
               151           152           153           154           155 
      1  -0.172557D+01  0.913240D+00 -0.768582D+00 -0.809506D+01 -0.229589D+01
      2   0.913240D+00 -0.134058D+01  0.653699D+00 -0.229589D+01 -0.230217D+01
      3  -0.768582D+00  0.653699D+00 -0.225491D+00  0.391525D+00  0.279129D+00
               156           157           158           159           160 
      1   0.391525D+00 -0.485363D+01 -0.177190D+01  0.213367D+00  0.197452D+01
      2   0.279129D+00 -0.177190D+01 -0.218778D+01  0.428810D+00  0.603872D+00
      3  -0.151032D+01  0.213367D+00  0.428810D+00 -0.756672D+00 -0.874920D+00
               161           162           163           164           165 
      1   0.603872D+00 -0.874920D+00 -0.316157D+00  0.601526D+00  0.237113D+00
      2   0.717933D+00 -0.278613D+00  0.601526D+00 -0.690143D+00 -0.127661D+00
      3  -0.278613D+00  0.125633D+00  0.237113D+00 -0.127661D+00  0.172288D+00
               166           167           168           169           170 
      1   0.263506D+01  0.899812D+00 -0.115095D+00  0.804759D+00  0.436593D-01
      2   0.899812D+00  0.962997D+01  0.972172D+00  0.436593D-01  0.231306D+01
      3  -0.115095D+00  0.972172D+00  0.166733D+01  0.134196D+00  0.100257D+01
               171           172           173           174           175 
      1   0.134196D+00  0.104130D+02  0.117284D+01 -0.156019D+01 -0.317348D-02
      2   0.100257D+01  0.117284D+01  0.130534D+01  0.274262D+00  0.373218D+01
      3   0.321020D+00 -0.156019D+01  0.274262D+00 -0.430366D-01  0.174458D+00
               176           177           178           179           180 
      1   0.373218D+01  0.174458D+00 -0.332809D+01 -0.244598D+00  0.213833D+01
      2  -0.571159D+01 -0.672130D+00 -0.244598D+00 -0.841354D+00  0.120188D+00
      3  -0.672130D+00 -0.117272D+01  0.213833D+01  0.120188D+00 -0.685632D+00
               181           182           183           184           185 
      1   0.763122D+00 -0.120351D+01 -0.669362D+00 -0.251076D+01  0.256022D+01
      2  -0.120351D+01  0.688600D+00  0.128675D+00  0.256022D+01 -0.109382D+02
      3  -0.669362D+00  0.128675D+00  0.252108D+00  0.156445D+00 -0.108670D+01
               186           187           188           189           190 
      1   0.156445D+00 -0.142783D+01  0.498482D+00  0.484383D+00  0.261003D-02
      2  -0.108670D+01  0.498482D+00 -0.219160D+01 -0.143624D+01  0.328432D+00
      3  -0.119713D+01  0.484383D+00 -0.143624D+01  0.115479D+00  0.121698D+01
               191           192           193           194           195 
      1   0.328432D+00  0.121698D+01  0.950742D+00  0.249312D+00 -0.242789D-01
      2   0.170036D-01  0.706424D-01  0.249312D+00 -0.994407D+00  0.101575D+01
      3   0.706424D-01 -0.251489D+00 -0.242789D-01  0.101575D+01  0.371806D+00
               196           197           198           199           200 
      1   0.236483D+01 -0.185868D+00  0.941016D+00 -0.107632D+01 -0.477775D+00
      2  -0.185868D+00  0.167358D+01 -0.149497D+01 -0.477775D+00 -0.544828D+00
      3   0.941016D+00 -0.149497D+01  0.104276D+02  0.683017D+00  0.262945D+00
               201           202           203           204           205 
      1   0.683017D+00 -0.400101D+00 -0.250532D+00  0.143235D+00  0.259330D+01
      2   0.262945D+00 -0.250532D+00 -0.891869D+00  0.584346D+00  0.123405D+01
      3  -0.715566D+00  0.143235D+00  0.584346D+00 -0.666040D+00 -0.205295D+01
               206           207           208           209           210 
      1   0.123405D+01 -0.205295D+01 -0.942465D-01  0.139665D+01  0.979991D-01
      2   0.301957D+01 -0.225840D+01  0.139665D+01 -0.736308D+00 -0.123445D+00
      3  -0.225840D+01  0.743135D+01  0.979991D-01 -0.123445D+00  0.673664D+00
               211           212           213           214           215 
      1   0.428935D+01 -0.126452D+01 -0.308984D+00  0.365641D+00 -0.219214D+00
      2  -0.126452D+01  0.689703D+01  0.134365D-01 -0.219214D+00  0.458333D+00
      3  -0.308984D+00  0.134365D-01  0.136611D+01  0.322982D+00  0.217796D+00
               216 
      1   0.322982D+00
      2   0.217796D+00
      3  -0.175188D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.108405D+01  0.294166D-01 -0.633576D+00 -0.170102D+01  0.207867D+01
      2   0.929732D+00 -0.192697D+00  0.164204D+01  0.901235D+00  0.181384D+01
      3  -0.128785D+01  0.634460D+00 -0.759650D+00  0.580401D+01 -0.774861D+00
                 6             7             8             9            10 
      1   0.154711D+01  0.673343D+00  0.452612D+01 -0.963403D+01 -0.732023D+00
      2   0.461337D+00 -0.269009D+01  0.141035D+00 -0.607110D+01 -0.284186D+01
      3  -0.157887D+00 -0.672525D+00 -0.194296D+01 -0.126982D+01 -0.324655D+01
                11            12            13            14            15 
      1  -0.217457D+01 -0.111051D+01 -0.166660D+00 -0.152490D+01 -0.205654D+01
      2  -0.368853D+00 -0.521005D+00  0.553703D+00 -0.124524D+01 -0.165795D+01
      3  -0.477453D+01 -0.954804D-01  0.783734D+00  0.210486D+01  0.234852D+01
                16            17            18            19            20 
      1  -0.103804D+01  0.226983D+01 -0.878115D+00 -0.192716D+01 -0.130293D+00
      2  -0.444504D+01 -0.903711D+00  0.144125D+02 -0.252271D+00  0.139088D+01
      3  -0.124709D+01  0.209927D+01  0.823208D+00  0.202772D+01 -0.363971D+01
                21            22            23            24            25 
      1   0.115348D+01 -0.129755D+01 -0.174722D+01 -0.895938D+00  0.933241D+00
      2  -0.360791D+00  0.431117D+00  0.114898D+01 -0.550861D+00 -0.463250D+01
      3   0.195819D-01  0.235170D+01 -0.410719D+01 -0.160502D+01  0.213884D+01
                26            27            28            29            30 
      1   0.224329D+01  0.601464D+01 -0.183980D+01  0.743289D+00  0.140908D+01
      2   0.220230D+00 -0.559361D+01 -0.209547D+01  0.118216D+01 -0.250206D+01
      3  -0.102168D+01 -0.508656D+00 -0.735338D+01 -0.903297D+01  0.396696D+00
                31            32            33            34            35 
      1  -0.474703D+00  0.240104D+00 -0.342737D+00 -0.188055D+00  0.328452D+01
      2  -0.654161D+00 -0.111747D+01 -0.337206D+01 -0.521816D+01  0.733912D+00
      3  -0.526438D+01  0.641842D+01  0.193113D+01  0.100397D+01  0.999005D+00
                36            37            38            39            40 
      1   0.485352D+01  0.219614D+01 -0.331321D+00 -0.128277D+01  0.385499D+00
      2   0.163760D+02  0.104561D+01  0.271386D+00  0.123712D+02 -0.233049D+00
      3   0.685573D+00 -0.399984D+01 -0.228107D+01 -0.164369D+01  0.198501D+02
                41            42            43            44            45 
      1   0.832506D+00 -0.536391D+01  0.185025D+01  0.265571D+01  0.604510D+00
      2  -0.207735D+00  0.812671D+00 -0.783280D+01 -0.138499D+01  0.125659D+01
      3   0.215509D+01  0.190024D+00 -0.559274D+01 -0.537168D+00 -0.372418D+00
                46            47            48            49            50 
      1  -0.721419D-01  0.257453D+00 -0.964822D+00 -0.795224D+00  0.224927D+00
      2   0.788753D+00  0.147368D+00 -0.533584D+01 -0.511400D+00  0.189760D+01
      3   0.849494D+01  0.531113D+01  0.593019D+00 -0.507034D+00 -0.137683D+01
                51            52            53            54            55 
      1  -0.839492D+00 -0.201566D+01  0.325799D+01  0.987976D+01 -0.531048D+01
      2   0.313073D+01 -0.400269D+01 -0.165313D+01 -0.166049D+02 -0.396929D+01
      3  -0.219715D+01  0.273631D+01 -0.253985D+01  0.207636D+00  0.156271D+02
                56            57            58            59            60 
      1   0.220310D+01 -0.207705D+01  0.271820D+01 -0.440169D+01 -0.672111D+01
      2   0.318972D+01  0.128262D+01  0.101803D+01 -0.259674D+01 -0.167557D+00
      3  -0.576195D+01  0.337004D+01  0.427208D+01  0.963809D+01  0.401976D-01
                61            62            63            64            65 
      1  -0.148937D+01  0.142005D+01 -0.389173D+01  0.127828D+01  0.272011D-02
      2  -0.535736D+01 -0.131267D+00 -0.146320D+01  0.965592D+00 -0.422831D+00
      3   0.730750D+01  0.159605D+01  0.209385D+01  0.373839D+00 -0.173014D+01
                66            67            68            69            70 
      1  -0.425567D+00  0.836504D-01  0.141435D+01 -0.902275D+00 -0.290512D+00
      2   0.101018D+01 -0.312507D+00  0.547936D+00 -0.167080D+00 -0.438348D+01
      3  -0.125145D+01  0.677524D+00  0.248017D+00 -0.786965D+00 -0.280075D+01
                71            72            73            74            75 
      1   0.375408D+01  0.106963D+02 -0.844600D+00  0.526241D+00  0.166482D+01
      2  -0.572885D+00  0.611557D+01  0.804298D+01  0.225589D+01  0.441809D+01
      3  -0.125261D+01  0.103477D+01  0.130279D+02 -0.146161D+01 -0.138282D+01
                76            77            78            79            80 
      1  -0.175907D+01 -0.273653D-01 -0.316416D+01  0.165735D+01  0.383355D+01
      2   0.237034D+01  0.352671D+01 -0.421794D+01 -0.197102D+01 -0.229941D+01
      3   0.767233D+01  0.154316D+02 -0.306419D+01 -0.192233D+01 -0.715827D+01
                81            82            83            84            85 
      1   0.696865D+00  0.148350D+00  0.247005D+00  0.203850D-01  0.602115D+00
      2   0.408523D+01 -0.200544D+01 -0.172656D+00  0.102492D+01  0.496521D-01
      3   0.147912D+01  0.821981D+00 -0.561717D+00  0.151815D+00  0.160456D+01
                86            87            88            89            90 
      1  -0.466254D+00 -0.160353D+01  0.328051D+00  0.455392D+01 -0.105460D+01
      2  -0.202899D+01  0.976766D+00 -0.329083D+01  0.307779D+00 -0.148445D+02
      3  -0.565354D+00  0.158202D+01  0.312282D+00  0.353934D+01  0.453754D-01
                91            92            93            94            95 
      1  -0.869601D+00  0.259204D+00  0.360731D+00  0.245443D+00 -0.120271D+01
      2   0.143040D+01  0.104113D+00  0.440773D+00  0.428596D+00  0.274676D+00
      3  -0.295232D+00 -0.117797D+01  0.900641D+00  0.121011D+01  0.198859D+00
                96            97            98            99           100 
      1  -0.667116D+00 -0.581107D+00  0.450699D+01 -0.717631D+01  0.224918D+01
      2  -0.575519D+00 -0.475889D+01  0.443996D+00  0.583914D+01 -0.187967D+01
      3  -0.496451D+00  0.139047D+01 -0.141023D+01 -0.614122D-01  0.897335D+01
               101           102           103           104           105 
      1  -0.238970D-02 -0.209902D+01  0.130541D+01  0.598556D+01 -0.249257D+01
      2  -0.705587D+00  0.618185D+01  0.472306D+00 -0.310848D+01  0.654954D+00
      3  -0.108938D+02 -0.156127D+01 -0.322072D+00  0.140523D+02  0.348793D+01
               106           107           108           109           110 
      1  -0.193723D+01  0.462334D+01  0.262722D+01  0.182984D+01 -0.380405D+00
      2  -0.175840D+01  0.775447D+00 -0.212594D+01  0.336140D+01 -0.651887D+00
      3  -0.489513D+01  0.624467D+01  0.110954D+01  0.513035D+01  0.454524D+01
               111           112           113           114           115 
      1   0.247399D+01 -0.194727D+01  0.873606D+01 -0.638891D+00 -0.138814D+01
      2   0.615988D+00  0.181563D+00  0.415742D+01 -0.260539D+01 -0.481243D+01
      3  -0.120027D+01  0.135580D+02 -0.155020D+02 -0.399688D+01 -0.337610D+01
               116           117           118           119           120 
      1   0.383716D+01 -0.150883D+02 -0.486127D+00  0.102307D+00  0.686300D+00
      2   0.342465D+01 -0.201945D+02 -0.130438D+01 -0.504171D+00  0.201689D+01
      3  -0.507972D+01 -0.321277D+01  0.591941D+00 -0.145787D+00  0.117171D+01
               121           122           123           124           125 
      1  -0.114320D+00 -0.115017D+01 -0.791680D+00  0.456282D+00  0.404360D+01
      2  -0.103531D-02 -0.140339D+01 -0.128234D-01 -0.417640D+01 -0.601596D+00
      3   0.225153D+01 -0.109510D+01  0.158712D+01  0.235544D+01  0.275172D+01
               126           127           128           129           130 
      1  -0.478434D+01 -0.582450D+00 -0.123793D+01  0.843675D+00  0.276033D+00
      2  -0.124024D+02 -0.219011D+00 -0.536772D+00  0.445671D+01  0.104992D+01
      3  -0.468779D+00  0.514026D+01 -0.690614D+01  0.599474D+00  0.714073D+01
               131           132           133           134           135 
      1   0.396368D+00 -0.548511D+01  0.423611D+01  0.416043D+01 -0.165270D+02
      2   0.754425D-01  0.737878D+00 -0.372559D+01 -0.215993D+01  0.146381D+02
      3  -0.783631D+01  0.213875D+00 -0.367769D-02  0.824195D-01 -0.969708D+00
               136           137           138           139           140 
      1  -0.155485D+01 -0.523474D-02 -0.298589D+00  0.866086D+00 -0.143542D+01
      2   0.212737D+01 -0.784897D-01  0.922795D+00  0.161235D+00  0.118493D+01
      3  -0.835681D+00 -0.139552D+01  0.188273D+01  0.838513D+00  0.106614D+01
               141           142           143           144           145 
      1  -0.834836D+00 -0.676558D+00  0.334648D+01 -0.103614D+02  0.417260D+01
      2  -0.626004D-01 -0.376962D+01  0.153962D+01  0.136770D+02  0.364706D+01
      3  -0.169439D+01  0.364380D+01 -0.211710D+01  0.626229D+00 -0.160421D+02
               146           147           148           149           150 
      1  -0.203956D+01  0.438448D+01 -0.147392D+01  0.168837D+01 -0.248030D+01
      2  -0.218929D+01  0.309857D+01 -0.166715D+01  0.130064D+01 -0.179615D+01
      3   0.257529D+01 -0.253588D+01  0.544896D+01 -0.285293D+01  0.347268D+00
               151           152           153           154           155 
      1   0.254595D+01 -0.120630D+01  0.100282D+01  0.119488D+01  0.639175D+00
      2   0.111931D+01 -0.136741D+01  0.804506D+00 -0.463953D+01 -0.215385D+01
      3  -0.481684D+01  0.665227D+00 -0.141620D+01 -0.116045D+02 -0.999965D+01
               156           157           158           159           160 
      1  -0.260414D+00  0.967967D+00  0.272293D+00 -0.404207D+00 -0.321524D+00
      2   0.527722D+01 -0.308129D+01 -0.231073D+01  0.323079D+01  0.264288D+01
      3   0.124954D+01 -0.748042D+01 -0.111042D+02  0.176613D+01  0.285883D+01
               161           162           163           164           165 
      1   0.670937D+00  0.278393D+00 -0.442755D+00  0.587243D+00  0.145312D+00
      2   0.138296D+01 -0.895912D+00  0.658544D+00 -0.379714D+00 -0.110811D+00
      3   0.353044D+01 -0.126302D+01 -0.385819D+01  0.341023D+01  0.107038D+01
               166           167           168           169           170 
      1   0.199905D+00 -0.443925D+01 -0.451828D+01 -0.190439D+00 -0.205680D+01
      2  -0.400878D+00  0.177861D+01  0.239336D+01 -0.786359D+00  0.162301D+01
      3   0.633785D+01 -0.195298D+02 -0.266897D+01  0.246360D+01 -0.519272D+01
               171           172           173           174           175 
      1  -0.110185D+01 -0.112149D+01 -0.949969D+00 -0.190497D+01  0.907843D+00
      2   0.516923D+00 -0.413902D+01 -0.861763D+00  0.877256D+01  0.290807D+00
      3  -0.162775D+01 -0.105625D+02 -0.161193D+02  0.159748D+01 -0.116869D+02
               176           177           178           179           180 
      1   0.160790D+01 -0.431321D+01  0.235133D+01  0.460299D+01  0.440491D+00
      2  -0.170248D+01 -0.180000D+01  0.190244D+01  0.286800D+00 -0.401208D+01
      3   0.235273D+02  0.133378D+01  0.218841D+01  0.474811D+01 -0.238923D+01
               181           182           183           184           185 
      1  -0.167721D+01  0.606304D+00  0.784926D+00  0.105352D+01 -0.579987D+01
      2  -0.161066D+01  0.634744D+00  0.164075D+01  0.527439D+00 -0.269745D+01
      3   0.193787D+01 -0.109273D+01  0.732325D+00  0.920316D+00  0.227070D+02
               186           187           188           189           190 
      1  -0.521685D+01  0.106379D+01 -0.206236D+01 -0.611257D+00  0.210936D+01
      2  -0.319248D+01  0.520039D+00 -0.338475D+01  0.978052D-01  0.365921D+01
      3   0.246939D+01  0.206040D+01  0.430235D+01  0.269932D+01 -0.291346D-02
               191           192           193           194           195 
      1  -0.593759D-02 -0.210333D+00 -0.675514D-01  0.916859D+00  0.368788D+00
      2  -0.508994D-01 -0.155251D-01 -0.778109D+00  0.261552D+01  0.808340D+00
      3  -0.145853D+01 -0.172446D+01 -0.110452D+01  0.174824D+01 -0.215735D+01
               196           197           198           199           200 
      1   0.750338D+00  0.261725D+01  0.145376D+02  0.143053D+01  0.722982D+00
      2  -0.311641D+01 -0.316999D+01  0.239223D+02 -0.206842D+01 -0.838489D+00
      3  -0.294716D+01 -0.380320D+01  0.302893D+01  0.102163D+01 -0.258479D+00
               201           202           203           204           205 
      1  -0.173939D+01  0.315954D+00  0.202615D+01 -0.120354D+01 -0.533857D+01
      2   0.154257D+01 -0.639161D+00 -0.142750D+01  0.149199D+01  0.221967D+01
      3  -0.104232D+01  0.363821D+00 -0.871011D+00  0.943408D+00 -0.332132D+01
               206           207           208           209           210 
      1  -0.294254D+01  0.186629D+02 -0.232532D+00  0.331173D+00 -0.920171D+00
      2   0.491002D+01 -0.165499D+02  0.259904D-01  0.997394D-01  0.631318D+00
      3   0.338532D+01  0.263637D+00 -0.477670D+01  0.540472D+01  0.295746D+00
               211           212           213           214           215 
      1   0.212042D+00 -0.339333D+01  0.519394D+00 -0.694360D+00  0.870291D+00
      2  -0.157208D+00 -0.476096D+00  0.547960D+01 -0.228637D+00  0.114196D+01
      3   0.783178D+01 -0.329826D+02  0.244328D+00  0.113582D+01 -0.188842D+01
               216 
      1  -0.201217D-01
      2  -0.643423D+00
      3  -0.537422D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.215118D+01 -0.852659D+01 -0.392172D+00 -0.562728D+01  0.136946D+02
      2   0.251966D+01  0.117925D+02 -0.833688D+00  0.699701D+01 -0.264145D+02
      3  -0.467084D+01 -0.326593D+01  0.122586D+01 -0.136974D+01  0.127199D+02
      4  -0.428613D+01 -0.219063D+01 -0.799114D+00 -0.101939D+02  0.101328D+02
      5   0.189729D+01 -0.145413D+01 -0.391020D+00 -0.403639D+01  0.174473D+01
      6   0.100258D+01  0.218209D+01  0.142563D+01  0.304252D+01 -0.776527D+01
                 6             7             8             9            10 
      1   0.266029D+01  0.161212D+01  0.431305D+01  0.124836D+02 -0.235680D+02
      2  -0.790173D+00 -0.303438D+00 -0.121811D+02  0.511644D+01  0.116399D+02
      3  -0.187012D+01 -0.130868D+01  0.786807D+01 -0.176000D+02  0.119281D+02
      4   0.261627D+01 -0.261766D+01  0.394844D+01  0.795773D+00  0.121837D+02
      5   0.150883D+01  0.107218D+01  0.173036D+01 -0.133633D+02 -0.869405D+01
      6  -0.106854D+02  0.804380D-01 -0.458787D+01  0.261172D+02  0.377747D+00
                11            12            13            14            15 
      1   0.563642D+01 -0.175257D+01  0.127694D+02  0.825018D+01  0.162904D+01
      2  -0.107849D+00  0.424303D+01 -0.763363D+01 -0.265579D+01 -0.211194D+01
      3  -0.552857D+01 -0.249046D+01 -0.513574D+01 -0.559438D+01  0.482907D+00
      4  -0.527242D+01  0.118242D+01  0.653341D+01 -0.549704D+01 -0.216659D+01
      5   0.112346D+01 -0.735306D+01  0.363711D+01 -0.319901D+00 -0.278626D+01
      6  -0.272904D+01  0.271834D+01 -0.150759D+01  0.650021D+00  0.609455D+00
                16            17            18            19            20 
      1  -0.125756D+02  0.288751D+01  0.612123D+01 -0.919226D+01  0.131126D+01
      2   0.402535D+01 -0.222479D+01  0.106568D+02  0.168403D+01 -0.794159D+01
      3   0.855028D+01 -0.662712D+00 -0.167780D+02  0.750824D+01  0.663033D+01
      4   0.693795D+01 -0.371577D+01 -0.230999D+01 -0.789180D+01 -0.115180D+02
      5  -0.419052D+01 -0.217805D+01  0.370176D+02  0.328045D+01  0.202654D+01
      6   0.382836D+00  0.810332D-01  0.122327D+01 -0.257907D+00  0.231875D+01
                21            22            23            24            25 
      1  -0.132083D+01 -0.890006D+01 -0.381670D+01 -0.260144D+01  0.423465D+01
      2  -0.165690D+01  0.164503D+01  0.271835D+01  0.372934D+00  0.824929D+00
      3   0.297772D+01  0.725504D+01  0.109836D+01  0.222851D+01 -0.505958D+01
      4   0.951986D+00 -0.122930D+02 -0.310448D+01  0.240459D+00  0.456368D+01
      5  -0.610871D+01  0.249607D+01  0.698071D+00 -0.183793D+01 -0.592057D+00
      6  -0.328283D+01  0.306990D+00  0.390388D+01 -0.244155D+01 -0.991105D+00
                26            27            28            29            30 
      1   0.463317D+00  0.869553D+01 -0.115489D+02  0.127373D+02 -0.568612D+01
      2   0.171650D+01  0.117075D+02  0.447599D+01 -0.104540D+02  0.243438D+00
      3  -0.217981D+01 -0.204030D+02  0.707294D+01 -0.228330D+01  0.544269D+01
      4   0.483066D+01 -0.231672D+00 -0.204036D+01 -0.896782D+01  0.287674D+01
      5  -0.954308D-01 -0.143291D+02 -0.476708D+01  0.165652D+01 -0.105014D+02
      6   0.212343D+01 -0.154548D+02  0.417835D+01 -0.676915D+00 -0.396638D+00
                31            32            33            34            35 
      1   0.821645D+01  0.632660D+01 -0.404712D+01 -0.362400D+01 -0.870307D+00
      2  -0.534921D+01 -0.592442D+01  0.140214D-01 -0.221714D+01  0.256593D+01
      3  -0.286724D+01 -0.402184D+00  0.403310D+01  0.584114D+01 -0.169562D+01
      4  -0.841173D+01 -0.165168D+02 -0.199225D+01  0.183767D+01 -0.270034D+01
      5   0.179742D+00 -0.102626D+01 -0.619200D+01 -0.438208D+01  0.312805D-01
      6  -0.860346D+00  0.194181D+01 -0.355590D+01  0.942400D+00 -0.114339D+01
                36            37            38            39            40 
      1   0.925543D+01  0.500304D+01 -0.267844D+01 -0.621570D+00  0.804244D+00
      2   0.971671D+01 -0.194812D+01  0.235457D+01 -0.367906D-01  0.417411D+00
      3  -0.189721D+02 -0.305493D+01  0.323870D+00  0.658360D+00 -0.122166D+01
      4   0.600018D+00 -0.324883D+01  0.204638D+02 -0.155359D+01  0.175042D+02
      5   0.313856D+02  0.189287D+01  0.993276D-01  0.238756D+02 -0.172857D+01
      6  -0.122868D+02 -0.176053D+01  0.216593D+01  0.296089D+01 -0.290692D+00
                41            42            43            44            45 
      1  -0.188340D+02  0.495011D+01  0.128481D+01  0.411436D+01 -0.101443D+02
      2   0.256960D+02 -0.144034D+01 -0.228348D+01 -0.467875D+01 -0.211978D+01
      3  -0.686194D+01 -0.350977D+01  0.998671D+00  0.564394D+00  0.122641D+02
      4   0.339048D+01 -0.304822D+00 -0.855214D+01 -0.256320D+00 -0.144898D+01
      5  -0.935549D+00  0.239109D+01  0.657551D+01 -0.149264D+00  0.223827D+01
      6  -0.430774D+01  0.760604D+01 -0.865033D+00  0.945807D+01  0.118313D-01
                46            47            48            49            50 
      1  -0.138542D+02  0.238064D+01  0.470203D+01 -0.105542D+02 -0.223069D+01
      2   0.842038D+01 -0.836108D+01 -0.149072D+01  0.329081D+00 -0.705107D+01
      3   0.543380D+01  0.598045D+01 -0.321131D+01  0.102251D+02  0.928175D+01
      4   0.320231D+01 -0.251507D+02 -0.200215D+01 -0.223098D+02 -0.469157D+01
      5   0.410532D+00 -0.117480D+01 -0.145411D+02  0.110119D+01  0.487936D+00
      6  -0.942966D+00 -0.283345D+01 -0.204593D+01  0.184296D+00  0.143314D+01
                51            52            53            54            55 
      1  -0.221481D+01  0.609914D+01 -0.243562D+01  0.141774D+02 -0.279877D+01
      2  -0.472030D+00  0.955309D+00  0.939838D+01  0.104732D+02 -0.520177D+01
      3   0.268684D+01 -0.705445D+01 -0.696276D+01 -0.246506D+02  0.800054D+01
      4   0.125381D+01  0.360485D+01  0.301386D+01  0.810501D+00  0.228290D+02
      5   0.450422D+01 -0.326499D+01 -0.117893D+01 -0.322307D+02 -0.358302D+01
      6  -0.350661D+01  0.209050D+00 -0.274341D+01 -0.264658D+02  0.852082D+01
                56            57            58            59            60 
      1   0.336213D+00 -0.284087D+01  0.320097D+01 -0.366454D+02 -0.694270D+01
      2   0.594705D+01  0.684297D+00 -0.648767D+00  0.550570D+02  0.570094D+01
      3  -0.628326D+01  0.215657D+01 -0.255220D+01 -0.184116D+02  0.124176D+01
      4  -0.495587D+01  0.754597D+01  0.344753D+01 -0.144398D+02 -0.512509D+01
      5   0.158170D+01  0.526633D+01  0.238054D+01 -0.348521D+01 -0.139267D+01
      6  -0.324345D+01  0.248035D+01 -0.355706D+01  0.131969D+02  0.143876D+02
                61            62            63            64            65 
      1  -0.238378D+01 -0.108545D+02 -0.119050D+02 -0.377735D-01  0.811532D+00
      2  -0.252668D+01  0.187294D+02  0.327802D+01 -0.358620D+01 -0.951887D+00
      3   0.491046D+01 -0.787487D+01  0.862698D+01  0.362398D+01  0.140355D+00
      4   0.137424D+02 -0.124530D+02 -0.194138D+01  0.999154D+00  0.251473D+01
      5   0.525757D+01 -0.409170D+01 -0.336087D+01  0.124055D+01 -0.875306D+00
      6   0.132187D+00  0.171914D+02  0.830384D+01 -0.355776D+01 -0.651862D+00
                66            67            68            69            70 
      1   0.187706D+01  0.582680D+00 -0.511174D+01  0.346452D+01  0.245987D+01
      2  -0.693630D+00 -0.859563D+00  0.383958D+01 -0.369616D+01 -0.750250D+00
      3  -0.118343D+01  0.276883D+00  0.127216D+01  0.231642D+00 -0.170961D+01
      4  -0.285084D+01  0.253637D+01 -0.175014D+01  0.150952D+01 -0.416150D+01
      5   0.700734D+01  0.771888D-02  0.136222D+01 -0.549809D+00  0.460691D+01
      6   0.964241D+00 -0.191386D+00 -0.395160D+01  0.791132D+01 -0.301434D+00
                71            72            73            74            75 
      1   0.579014D+01 -0.187760D+02  0.230845D+02 -0.244278D+02  0.910003D+01
      2  -0.527560D+01 -0.138490D+02 -0.129660D+02  0.116639D+02 -0.858662D+01
      3  -0.514534D+00  0.326249D+02 -0.101186D+02  0.127639D+02 -0.513409D+00
      4   0.328074D+01 -0.808156D+00 -0.294975D+02  0.943390D+01  0.408374D+00
      5  -0.147965D+01  0.122766D+02  0.148706D+02  0.111189D+01  0.101541D+02
      6   0.781705D+01 -0.269393D+02 -0.284884D+01  0.113191D+01 -0.268594D+01
                76            77            78            79            80 
      1  -0.441045D+02 -0.667053D+01  0.177279D+01  0.266881D+02  0.242678D+01
      2   0.245181D+02  0.955329D+01 -0.328212D+00 -0.165401D+02 -0.167341D+01
      3   0.195863D+02 -0.288276D+01 -0.144457D+01 -0.101479D+02 -0.753365D+00
      4   0.902112D+01 -0.197009D+02  0.676401D+01 -0.256073D+01  0.985681D+01
      5  -0.618048D+00  0.720399D+01 -0.642325D+01  0.171041D+02 -0.507228D+01
      6   0.612426D+00 -0.178930D+01  0.750321D+01 -0.249526D+01  0.628437D+01
                81            82            83            84            85 
      1   0.210239D+01  0.356852D+01 -0.129703D+01 -0.475750D+01 -0.129744D+01
      2  -0.954279D+01 -0.508846D+01  0.410551D+00  0.322106D+01  0.583177D+00
      3   0.744041D+01  0.151994D+01  0.886477D+00  0.153644D+01  0.714264D+00
      4  -0.527015D+01 -0.146366D+01  0.140492D+01  0.288187D+00  0.152453D+01
      5   0.863659D+01 -0.482659D+01 -0.406191D+00  0.779772D+01 -0.610368D+00
      6  -0.154335D+01  0.282794D+00 -0.262434D-01  0.301378D+00 -0.112122D+01
                86            87            88            89            90 
      1  -0.407048D+01  0.395031D+00 -0.785779D+01  0.718383D-01 -0.147532D+02
      2   0.397203D+00  0.874252D+00  0.656147D+01  0.544760D+00 -0.176770D+02
      3   0.367328D+01 -0.126928D+01  0.129632D+01 -0.616598D+00  0.324302D+02
      4   0.197360D+01 -0.481103D+01  0.135415D+00 -0.606603D+01  0.116494D+01
      5  -0.495404D+01  0.202670D+01  0.867448D+01  0.155993D+01 -0.349582D+02
      6  -0.232036D+00  0.807106D+01 -0.120299D+00  0.508303D+01  0.159419D+01
                91            92            93            94            95 
      1   0.483567D+00 -0.442787D+00  0.210711D+01 -0.357642D+00 -0.240365D+01
      2  -0.315933D+01  0.971117D+00 -0.949457D+00  0.650261D+00 -0.903549D+00
      3   0.267576D+01 -0.528330D+00 -0.115765D+01 -0.292618D+00  0.330720D+01
      4   0.172737D+00  0.283585D+01  0.163098D+01  0.342246D+01  0.321422D+00
      5   0.204952D+01 -0.632072D-01  0.636241D+01 -0.334077D+00  0.155717D+01
      6   0.188327D+01 -0.185395D+00 -0.413925D+00  0.207382D+00  0.146812D+01
                96            97            98            99           100 
      1  -0.797440D+00  0.267939D+01 -0.224729D+01 -0.189025D+02  0.288773D+02
      2   0.244081D+01 -0.224967D+01  0.335233D+01 -0.172805D+02 -0.119386D+02
      3  -0.164337D+01 -0.429717D+00 -0.110504D+01  0.361830D+02 -0.169387D+02
      4   0.184309D+01  0.304500D+01  0.324670D+01  0.894194D+00  0.234428D+02
      5  -0.770150D+00  0.578792D+01  0.531960D+00  0.141632D+02 -0.435304D+01
      6   0.686495D+01  0.841081D+00  0.523851D+01  0.155541D+02 -0.316929D+01
               101           102           103           104           105 
      1  -0.360631D+01 -0.210152D+01  0.294219D+00  0.158301D+02  0.663949D+01
      2   0.118720D+02  0.360469D+01  0.459946D+01 -0.168524D+02 -0.679324D+01
      3  -0.826564D+01 -0.150317D+01 -0.489367D+01  0.102236D+01  0.153750D+00
      4   0.252386D+02 -0.232498D+01  0.204516D+02 -0.284881D+01 -0.468874D+01
      5  -0.538275D+00  0.120878D+02 -0.101742D+01 -0.670137D+01  0.104297D+01
      6  -0.272290D+00  0.377857D+01 -0.503201D+00 -0.954112D+01  0.700891D+01
               106           107           108           109           110 
      1  -0.699318D+01  0.796509D+01 -0.146219D+01 -0.163102D+02 -0.123321D+02
      2   0.259449D+01 -0.130469D+02 -0.581663D+01  0.128326D+02  0.562284D+01
      3   0.439869D+01  0.508184D+01  0.727882D+01  0.347762D+01  0.670922D+01
      4  -0.791257D+01 -0.116319D+02  0.482370D+01 -0.140718D+02  0.286743D+00
      5   0.108166D+02  0.267878D+01 -0.374185D+01  0.131337D+02 -0.295139D+01
      6   0.584335D+01  0.671135D+01 -0.508635D+01 -0.756698D+01  0.495363D+01
               111           112           113           114           115 
      1   0.273455D+01 -0.334111D+02  0.130062D+02  0.190970D+01  0.227114D+02
      2  -0.537045D+01  0.251604D+02 -0.339989D+02 -0.882830D+01 -0.995082D+01
      3   0.263590D+01  0.825074D+01  0.209927D+02  0.691860D+01 -0.127605D+02
      4  -0.621796D+01 -0.864967D+01  0.385355D+02  0.719676D+01 -0.220172D+01
      5  -0.361229D+01  0.209439D+01  0.736375D+01 -0.545522D+01 -0.247956D+01
      6  -0.524096D+01  0.696742D+00 -0.476883D+01 -0.160371D+01  0.767463D+00
               116           117           118           119           120 
      1   0.166354D+01  0.182954D+02  0.283007D+01 -0.204905D+01 -0.251445D+01
      2  -0.656867D+01  0.704712D+01 -0.431912D+01  0.126265D+01  0.192974D+01
      3   0.490513D+01 -0.253426D+02  0.148905D+01  0.786396D+00  0.584712D+00
      4   0.104818D+02  0.686550D+01 -0.245106D+01  0.290831D+01  0.117742D+01
      5   0.654430D+01 -0.431921D+02 -0.328592D+01 -0.378595D+00  0.911656D+01
      6  -0.419223D+01  0.209552D+02  0.143079D+01  0.178075D+00 -0.821020D+00
               121           122           123           124           125 
      1  -0.148361D+01 -0.432731D+01 -0.864628D+00 -0.549823D+01 -0.103853D+01
      2   0.450018D+00  0.118354D+01  0.147201D+01  0.710033D+01  0.932956D+00
      3   0.103359D+01  0.314377D+01 -0.607378D+00 -0.160210D+01  0.105570D+00
      4   0.324526D+01  0.656517D+00 -0.204554D+01  0.366734D+01 -0.307937D+01
      5   0.142248D-01 -0.306888D+01  0.719447D+00  0.829447D+01 -0.115829D+01
      6  -0.397486D+00  0.171074D+01  0.788800D+01 -0.144237D+01  0.585874D+01
               126           127           128           129           130 
      1  -0.189422D+02  0.219265D+02  0.353996D+01  0.309404D+00  0.741266D+01
      2  -0.163805D+02 -0.295240D+01  0.883084D+01  0.113346D+01  0.628008D+01
      3   0.353227D+02 -0.189741D+02 -0.123708D+02 -0.144287D+01 -0.136927D+02
      4  -0.157790D+01  0.251839D+02  0.307691D+02  0.157600D+01  0.316975D+02
      5  -0.250242D+02 -0.529046D+00  0.677219D+00  0.641560D+01  0.593411D+00
      6   0.122469D+02  0.704931D+00  0.774861D+00 -0.147021D+00  0.128253D+01
               131           132           133           134           135 
      1  -0.988096D+01  0.136334D+01 -0.938656D+00 -0.131829D+01 -0.929713D+00
      2   0.339721D+02  0.533055D+00  0.574999D+00  0.131236D+01  0.216835D+01
      3  -0.240911D+02 -0.189639D+01  0.363656D+00  0.593018D-02 -0.123864D+01
      4   0.352824D+02  0.166928D+01  0.512899D+01  0.621936D+01 -0.357956D+01
      5   0.989464D+00  0.204175D+01  0.173698D+01 -0.144140D+01  0.265765D+02
      6  -0.974032D+00  0.879593D+01 -0.248895D+01  0.344296D+01  0.276279D+02
               136           137           138           139           140 
      1  -0.173717D-01  0.793855D+00  0.361946D+01 -0.130288D+00 -0.344843D+01
      2  -0.276710D+01 -0.135295D+00 -0.139002D+01  0.115448D+01  0.143942D+01
      3   0.278447D+01 -0.658560D+00 -0.222944D+01 -0.102419D+01  0.200901D+01
      4   0.134349D+01  0.453753D+01  0.335262D+01  0.478248D+01  0.152413D+01
      5   0.379792D+01  0.673176D+00  0.800815D+01 -0.249163D+00  0.288056D+01
      6   0.366811D+01 -0.124131D+00  0.511315D+00 -0.194286D-01  0.383229D+01
               141           142           143           144           145 
      1  -0.241120D+01  0.334195D+01 -0.425859D+01 -0.198226D+02  0.105397D+02
      2   0.355499D+01 -0.384430D+01  0.255630D+01 -0.151269D+02  0.708269D+01
      3  -0.114379D+01  0.502346D+00  0.170228D+01  0.349495D+02 -0.176223D+02
      4   0.227455D+01  0.643735D+01  0.621806D+01  0.364360D+01 -0.342431D+02
      5  -0.486865D+00  0.868400D+01  0.390035D+01  0.265456D+02  0.752373D+00
      6   0.779835D+01  0.314534D+01  0.909879D+01  0.262526D+02 -0.449862D+01
               146           147           148           149           150 
      1   0.205258D+01  0.238093D+01 -0.128919D+01 -0.242460D+01  0.981943D-02
      2  -0.165660D+02  0.686645D+00 -0.750679D+01  0.129480D+02 -0.198271D+01
      3   0.145134D+02 -0.306758D+01  0.879598D+01 -0.105234D+02  0.197289D+01
      4   0.254528D+02 -0.439621D+01  0.180928D+02 -0.151958D+02  0.220662D+01
      5   0.426151D-01  0.337040D+01  0.394629D+00  0.687634D+00 -0.278880D+01
      6   0.153347D+01 -0.687116D+01  0.154823D+01 -0.127203D+01  0.418069D+01
               151           152           153           154           155 
      1   0.207606D+01  0.111401D+01  0.360356D+00  0.556261D+02  0.166677D+02
      2   0.200366D+01 -0.479572D+01  0.136787D+01 -0.303845D+02 -0.956335D+01
      3  -0.407973D+01  0.368171D+01 -0.172823D+01 -0.252417D+02 -0.710433D+01
      4  -0.904986D+01  0.659980D+01 -0.486523D+01  0.113405D+02  0.128559D+02
      5   0.332429D+01 -0.203634D+01  0.154669D+01 -0.233362D+01 -0.147831D+01
      6  -0.463453D+01  0.417878D+01 -0.143249D+01  0.128399D+01  0.135961D+01
               156           157           158           159           160 
      1  -0.439799D+01  0.329651D+02  0.119343D+02 -0.216875D+01 -0.126303D+02
      2   0.155853D+01 -0.185623D+02 -0.539673D+01  0.887317D+00  0.739363D+01
      3   0.283946D+01 -0.144028D+02 -0.653759D+01  0.128143D+01  0.523666D+01
      4  -0.151802D+01  0.113923D+02  0.120038D+02 -0.245705D+01 -0.308942D+01
      5   0.852524D+01 -0.169999D+01 -0.256858D+01  0.466093D+01  0.706978D+01
      6  -0.402053D+00  0.106887D+01  0.547957D+00 -0.291580D+00  0.127915D-01
               161           162           163           164           165 
      1  -0.426689D+01  0.550767D+01 -0.768078D+00  0.418233D+01  0.116206D+01
      2   0.246589D+01 -0.359959D+01  0.246825D+01 -0.465130D+01 -0.100682D+01
      3   0.180101D+01 -0.190809D+01 -0.170017D+01  0.468973D+00 -0.155235D+00
      4  -0.350739D+01  0.191401D+01 -0.622999D+00  0.101587D+01  0.535099D+00
      5   0.248826D+01 -0.141944D+01  0.310190D+00 -0.407501D+00 -0.198944D+00
      6   0.627440D+00 -0.622020D+00  0.125115D+01 -0.805390D+00  0.323643D+00
               166           167           168           169           170 
      1   0.544299D+01 -0.268472D+02 -0.314725D+01  0.167671D+01 -0.701526D+01
      2  -0.332755D+00  0.460154D+02  0.550901D+01 -0.670025D+00  0.102038D+02
      3  -0.511024D+01 -0.191682D+02 -0.236175D+01 -0.100669D+01 -0.318854D+01
      4   0.898371D+01  0.284920D+02  0.284341D+01  0.182110D+01  0.661253D+01
      5  -0.663141D-01  0.421753D+01  0.457109D+01  0.782472D+00  0.327914D+01
      6   0.117246D+00  0.569939D+01  0.646718D+01  0.455306D+00  0.654295D+01
               171           172           173           174           175 
      1  -0.327274D+01  0.851496D+02  0.373888D+01 -0.581426D+01  0.269108D+01
      2   0.451147D+01 -0.500517D+02 -0.998543D+00  0.701791D+01 -0.345861D+01
      3  -0.123873D+01 -0.350979D+02 -0.274034D+01 -0.120365D+01  0.767538D+00
      4   0.283510D+01 -0.410084D+01  0.172073D+02  0.283937D+01  0.259778D+02
      5   0.780115D+00 -0.121253D+02  0.125973D+01  0.167117D+02 -0.112877D+00
      6   0.244943D+01  0.349408D+01 -0.215760D+01  0.220442D+01 -0.143419D+01
               176           177           178           179           180 
      1   0.155541D+02  0.293650D+01 -0.229828D+02 -0.196178D+00  0.755334D+01
      2  -0.228362D+01  0.122791D+01  0.139859D+02 -0.501313D+00 -0.139137D+02
      3  -0.132705D+02 -0.416441D+01  0.899685D+01  0.697491D+00  0.636034D+01
      4  -0.313199D+02 -0.460825D+01  0.120610D+01 -0.617609D+01 -0.115073D+01
      5  -0.519209D+01 -0.294168D+01  0.227761D+02  0.119631D+01 -0.823037D+01
      6   0.108912D+01  0.987215D+01 -0.246006D+01  0.524958D+01 -0.652109D+00
               181           182           183           184           185 
      1   0.351971D+01 -0.629560D+01 -0.329651D+01 -0.646638D+01 -0.208876D+02
      2   0.303519D+01  0.105586D+01  0.109393D+01 -0.416601D+01  0.491931D+02
      3  -0.655490D+01  0.523975D+01  0.220258D+01  0.106324D+02 -0.283055D+02
      4  -0.908816D+01  0.117036D+02  0.205568D+01  0.206247D+02 -0.542408D+02
      5  -0.307377D+01  0.728957D+00  0.284003D+01  0.694655D+00 -0.449330D+01
      6   0.208145D+01 -0.637898D+00 -0.116622D+01 -0.829873D-01  0.334318D+01
               186           187           188           189           190 
      1  -0.217389D+01 -0.576378D+01 -0.393606D+01 -0.402553D+01  0.106263D+01
      2   0.526341D+01  0.137056D+01  0.841169D+01  0.361794D+01 -0.438100D+01
      3  -0.308952D+01  0.439321D+01 -0.447563D+01  0.407592D+00  0.331837D+01
      4  -0.504939D+01  0.536137D+01 -0.106388D+02 -0.723358D+01  0.109546D+01
      5  -0.637999D+01  0.361049D+01 -0.726487D+01  0.605517D+00  0.618747D+01
      6   0.771016D+01 -0.202395D+01  0.828572D+01  0.242345D+01 -0.233234D+01
               191           192           193           194           195 
      1   0.132792D+01  0.825255D+01  0.563304D+01 -0.480094D+01  0.138408D+01
      2  -0.128321D+01 -0.399224D+01 -0.421794D+01  0.390228D+01 -0.245207D+01
      3  -0.447106D-01 -0.426032D+01 -0.141510D+01  0.898668D+00  0.106798D+01
      4   0.171694D+01 -0.240474D+01  0.133119D+01 -0.520762D+01  0.460204D+01
      5  -0.569732D+00  0.624586D+01 -0.165395D+00  0.489411D+01  0.189240D+01
      6  -0.928848D+00  0.931867D+00  0.289543D+00 -0.199677D+01  0.510332D+01
               196           197           198           199           200 
      1   0.107896D+02  0.478517D+01 -0.223730D+02  0.301308D+01  0.104112D+01
      2  -0.750455D+01 -0.276117D+01 -0.144584D+02 -0.166871D+01  0.966694D+00
      3  -0.328503D+01 -0.202399D+01  0.368315D+02 -0.134436D+01 -0.200781D+01
      4  -0.478438D+01  0.740480D+01 -0.746994D+01  0.526268D+01  0.343104D+01
      5   0.104779D+02 -0.744828D+01  0.499766D+02 -0.346366D+01 -0.156064D+01
      6  -0.245289D+01  0.956308D+01 -0.240280D+02 -0.290254D+01 -0.107239D+01
               201           202           203           204           205 
      1  -0.285868D+01  0.140869D+01 -0.278960D+01  0.131960D+01 -0.616711D+01
      2   0.131783D+01  0.231106D+00  0.414331D+01 -0.310035D+01  0.315524D+01
      3   0.154085D+01 -0.163980D+01 -0.135372D+01  0.178075D+01  0.301186D+01
      4  -0.358853D+01  0.236922D+01  0.376133D+01 -0.285276D+01 -0.117610D+02
      5   0.469930D+01 -0.558673D+00 -0.243866D+01  0.257802D+01  0.105810D+02
      6   0.289952D+01 -0.109031D+01 -0.293627D+01  0.404059D+01  0.886771D+01
               206           207           208           209           210 
      1   0.498590D+01 -0.510161D+01 -0.194243D+01  0.695624D+01  0.119949D+01
      2  -0.793291D+01 -0.357410D+01  0.285556D+01 -0.266562D+01 -0.272049D+00
      3   0.294702D+01  0.867571D+01 -0.913127D+00 -0.429061D+01 -0.927445D+00
      4  -0.132980D+02  0.123201D+02  0.734425D+01 -0.210728D+01 -0.430948D+00
      5   0.918368D+01 -0.308325D+02  0.528785D+00 -0.789281D+00  0.122478D+01
      6   0.116841D+02 -0.322394D+02 -0.322297D+00 -0.253433D+00  0.197352D+01
               211           212           213           214           215 
      1   0.312711D+02 -0.514891D+01 -0.195425D+01  0.221669D+01 -0.103237D+01
      2  -0.184218D+02  0.290806D+01  0.192322D+01 -0.125021D+01  0.560978D+00
      3  -0.128493D+02  0.224086D+01  0.310327D-01 -0.966476D+00  0.471393D+00
      4  -0.598187D+01  0.398335D+02  0.398928D+00 -0.798248D+00  0.180949D+01
      5  -0.239640D+01  0.109669D+01  0.100672D+02  0.277464D+01  0.186382D+01
      6   0.101636D+01 -0.947795D+00 -0.273182D+01 -0.103997D-01  0.176066D+01
               216 
      1   0.118997D+01
      2  -0.990792D+00
      3  -0.199177D+00
      4   0.121981D+01
      5  -0.174907D+01
      6   0.324250D+00
 Leave Link  716 at Wed Mar 16 19:37:02 2022, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.125098D+03  0.139369D+01 -0.682774D+00
      2   0.139369D+01  0.113614D+03 -0.166624D+01
      3  -0.682774D+00 -0.166624D+01  0.970024D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.194433D+01 -0.485807D+01  0.639339D+01
      2  -0.346342D+01 -0.383938D+00  0.542369D+01
      3  -0.777153D+01 -0.126571D+02  0.189849D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.322966D+02 -0.106207D+02 -0.170980D+02
      2  -0.255959D+02  0.107778D+02  0.133922D+02
      3  -0.670069D+01 -0.157163D+00  0.370575D+01
      4  -0.213626D+02 -0.581391D+01 -0.113830D+01
      5  -0.104583D+02 -0.308913D+01  0.879590D+01
      6   0.220652D+00  0.129972D+02 -0.112813D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.330957D+01  0.261655D+01 -0.837900D+00  0.176048D+01  0.263324D+01
      2   0.261655D+01  0.265472D+01  0.276613D+00  0.263324D+01 -0.444444D+01
      3  -0.837900D+00  0.276613D+00 -0.671625D+00  0.388884D+00 -0.144632D+01
                 6             7             8             9            10 
      1   0.388884D+00 -0.118566D+01  0.664435D+00 -0.436013D+00  0.415669D+01
      2  -0.144632D+01  0.664435D+00 -0.275251D+01 -0.116084D+01 -0.243567D+01
      3   0.559182D+00 -0.436013D+00 -0.116084D+01  0.109325D+02  0.144380D+01
                11            12            13            14            15 
      1  -0.243567D+01  0.144380D+01 -0.332785D+01 -0.259623D+01 -0.681643D+00
      2  -0.167435D+01 -0.332290D+00 -0.259623D+01  0.208451D+01  0.856717D+00
      3  -0.332290D+00 -0.912959D+00 -0.681643D+00  0.856717D+00  0.135742D+01
                16            17            18            19            20 
      1   0.253548D+01 -0.112223D+01  0.886134D+00  0.151009D+01 -0.290248D+01
      2  -0.112223D+01  0.130955D+01  0.513626D+00 -0.290248D+01 -0.240091D+01
      3   0.886134D+00  0.513626D+00 -0.110451D+02  0.106191D+01  0.341175D+00
                21            22            23            24            25 
      1   0.106191D+01 -0.435837D+01 -0.353242D+01  0.190362D+00  0.225351D+01
      2   0.341175D+00 -0.353242D+01  0.289226D+01  0.116377D+01  0.410548D+00
      3   0.834433D+00  0.190362D+00  0.116377D+01  0.144801D+01 -0.168074D+00
                26            27            28            29            30 
      1   0.410548D+00 -0.168074D+00  0.478091D+00  0.409757D+01 -0.119394D+01
      2   0.227478D+01  0.474169D+00  0.409757D+01  0.212770D+01 -0.664386D-01
      3   0.474169D+00 -0.106676D+02 -0.119394D+01 -0.664386D-01 -0.109912D+01
                31            32            33            34            35 
      1   0.439806D+01  0.330870D+01  0.142215D+00 -0.177790D+01  0.226417D+00
      2   0.330870D+01 -0.406961D+01 -0.110048D+01  0.226417D+00 -0.220372D+01
      3   0.142215D+00 -0.110048D+01 -0.921182D+00 -0.729771D+00  0.870501D-01
                36            37            38            39            40 
      1  -0.729771D+00  0.279749D+01 -0.359948D+01  0.606671D+00 -0.507188D+01
      2   0.870501D-01 -0.359948D+01 -0.332244D+00 -0.684084D+00 -0.117331D+01
      3   0.112157D+02  0.606671D+00 -0.684084D+00  0.141209D+00 -0.195649D+00
                41            42            43            44            45 
      1  -0.117331D+01 -0.195649D+00  0.387148D+01  0.308157D+00  0.266739D+00
      2  -0.411798D+01  0.121349D+01  0.308157D+00  0.182629D+01 -0.115373D+01
      3   0.121349D+01  0.851941D+00  0.266739D+00 -0.115373D+01 -0.134915D+01
                46            47            48            49            50 
      1  -0.517239D+01  0.767798D+00 -0.174232D+00  0.378303D+01  0.254457D+01
      2   0.767798D+00  0.181446D+01  0.119396D+01  0.254457D+01 -0.184815D+01
      3  -0.174232D+00  0.119396D+01 -0.838062D+00  0.269813D+00 -0.624481D+00
                51            52            53            54            55 
      1   0.269813D+00 -0.238436D+01  0.366830D+00  0.145740D+00  0.473533D+01
      2  -0.624481D+00  0.366830D+00 -0.209587D+01  0.437224D+00 -0.100452D+01
      3  -0.250879D+01  0.145740D+00  0.437224D+00  0.108881D+02  0.181796D+01
                56            57            58            59            60 
      1  -0.100452D+01  0.181796D+01 -0.628625D+00  0.127813D+00 -0.444698D+00
      2   0.222322D+01 -0.346411D+00  0.127813D+00  0.893305D+01  0.173149D+01
      3  -0.346411D+00  0.118310D+01 -0.444698D+00  0.173149D+01 -0.667383D+00
                61            62            63            64            65 
      1   0.271690D+01 -0.134799D+01  0.776972D-01  0.555781D+00 -0.433452D+00
      2  -0.134799D+01  0.417308D+01  0.201301D+01 -0.433452D+00 -0.438998D+00
      3   0.776972D-01  0.201301D+01  0.379540D+00 -0.107583D+01 -0.271495D-01
                66            67            68            69            70 
      1  -0.107583D+01 -0.172811D+00 -0.410766D+00  0.859666D-02 -0.211520D+01
      2  -0.271495D-01 -0.410766D+00  0.105111D+01 -0.124393D+01  0.923386D-01
      3   0.269085D+00  0.859666D-02 -0.124393D+01  0.669982D+00 -0.199774D-01
                71            72            73            74            75 
      1   0.923386D-01 -0.199774D-01 -0.402245D+01  0.410360D+01 -0.188347D+01
      2  -0.220338D+01  0.114642D+01  0.410360D+01  0.829523D+00 -0.357452D+00
      3   0.114642D+01 -0.950650D+01 -0.188347D+01 -0.357452D+00  0.138798D+01
                76            77            78            79            80 
      1   0.719689D+01 -0.715350D+00  0.304970D-01 -0.479629D+01  0.549669D-03
      2  -0.715350D+00  0.346996D+01 -0.130654D+01  0.549669D-03 -0.171319D+01
      3   0.304970D-01 -0.130654D+01  0.613356D+00 -0.178247D+01  0.668567D+00
                81            82            83            84            85 
      1  -0.178247D+01 -0.901107D+00  0.465772D+00  0.122894D+01  0.429534D+00
      2   0.668567D+00  0.465772D+00  0.282881D+00  0.681402D-01  0.303210D+00
      3  -0.467773D+00  0.122894D+01  0.681402D-01 -0.445688D+00  0.848133D-01
                86            87            88            89            90 
      1   0.303210D+00  0.848133D-01  0.229036D+01  0.168496D+00 -0.102805D+01
      2  -0.569457D+00  0.118638D+01  0.168496D+00  0.196436D+01 -0.282557D+00
      3   0.118638D+01 -0.535904D+00 -0.102805D+01 -0.282557D+00  0.954283D+01
                91            92            93            94            95 
      1  -0.229016D+00  0.322170D+00  0.118962D+01  0.495539D+00  0.566859D+00
      2   0.322170D+00  0.586403D+00  0.527945D-01  0.566859D+00 -0.447824D+00
      3   0.118962D+01  0.527945D-01  0.747900D-01  0.720168D-01  0.102245D+01
                96            97            98            99           100 
      1   0.720168D-01  0.219214D+01 -0.493971D-01  0.480621D+00  0.702810D+01
      2   0.102245D+01 -0.493971D-01  0.202966D+01  0.267239D+00  0.254017D+01
      3  -0.322622D+00  0.480621D+00  0.267239D+00  0.947231D+01 -0.104390D+01
               101           102           103           104           105 
      1   0.254017D+01 -0.104390D+01  0.104946D+01  0.344762D+01  0.138860D+00
      2   0.362004D+01  0.181251D+00  0.344762D+01 -0.355622D+01 -0.172536D+01
      3   0.181251D+00 -0.402694D+00  0.138860D+00 -0.172536D+01 -0.143845D+01
               106           107           108           109           110 
      1  -0.250694D+01 -0.693322D+00  0.143966D+01  0.317701D+00 -0.368207D+01
      2  -0.693322D+00 -0.346196D+01  0.610918D+00 -0.368207D+01  0.510812D+00
      3   0.143966D+01  0.610918D+00 -0.279712D+00  0.206905D+01 -0.564419D+00
               111           112           113           114           115 
      1   0.206905D+01 -0.391145D+01 -0.243112D+01  0.522211D-01  0.364367D+01
      2  -0.564419D+00 -0.243112D+01  0.851554D+01  0.175711D+01 -0.426086D-01
      3   0.144038D+01  0.522211D-01  0.175711D+01 -0.284698D+00 -0.268323D+00
               116           117           118           119           120 
      1  -0.426086D-01 -0.268323D+00  0.909897D+00 -0.698881D+00 -0.131535D+01
      2   0.205966D+01  0.139341D+01 -0.698881D+00 -0.134097D+00 -0.645173D-01
      3   0.139341D+01 -0.989818D+01 -0.131535D+01 -0.645173D-01  0.823716D+00
               121           122           123           124           125 
      1  -0.787595D+00 -0.148282D+00 -0.109563D+00 -0.286388D+01 -0.187612D+00
      2  -0.148282D+00  0.321518D+00 -0.111558D+01 -0.187612D+00 -0.163853D+01
      3  -0.109563D+00 -0.111558D+01 -0.162418D+00  0.120445D+01 -0.538481D+00
               126           127           128           129           130 
      1   0.120445D+01 -0.437985D+01 -0.267914D+01 -0.156887D+00 -0.314428D+01
      2  -0.538481D+00 -0.267914D+01 -0.259768D+01 -0.486183D+00 -0.328287D+01
      3  -0.977146D+01 -0.156887D+00 -0.486183D+00  0.127567D+01 -0.509703D+00
               131           132           133           134           135 
      1  -0.328287D+01 -0.509703D+00 -0.859078D+00 -0.105703D+01  0.740581D+00
      2  -0.668021D+01 -0.220904D+00 -0.105703D+01 -0.163493D+01  0.446247D+00
      3  -0.220904D+00  0.968363D+00  0.740581D+00  0.446247D+00 -0.702196D+01
               136           137           138           139           140 
      1   0.114319D+00 -0.437623D+00 -0.134220D+01 -0.603567D+00 -0.646715D+00
      2  -0.437623D+00 -0.453317D+00 -0.134386D+00 -0.646715D+00 -0.340392D+00
      3  -0.134220D+01 -0.134386D+00 -0.181586D+00  0.999823D-01 -0.111237D+01
               141           142           143           144           145 
      1   0.999823D-01 -0.263580D+01 -0.381205D+00 -0.113341D+01 -0.618602D+01
      2  -0.111237D+01 -0.381205D+00 -0.174221D+01 -0.144832D+01  0.343741D+01
      3  -0.281468D+00 -0.113341D+01 -0.144832D+01 -0.975841D+01 -0.791311D+00
               146           147           148           149           150 
      1   0.343741D+01 -0.791311D+00  0.278597D+01 -0.214952D+01  0.223848D+00
      2  -0.435565D+01  0.184851D+00 -0.214952D+01  0.300322D+01 -0.291110D+00
      3   0.184851D+00 -0.145629D+01  0.223848D+00 -0.291110D+00  0.104198D+01
               151           152           153           154           155 
      1  -0.172557D+01  0.913240D+00 -0.768582D+00 -0.809506D+01 -0.229589D+01
      2   0.913240D+00 -0.134058D+01  0.653699D+00 -0.229589D+01 -0.230217D+01
      3  -0.768582D+00  0.653699D+00 -0.225491D+00  0.391525D+00  0.279129D+00
               156           157           158           159           160 
      1   0.391525D+00 -0.485363D+01 -0.177190D+01  0.213367D+00  0.197452D+01
      2   0.279129D+00 -0.177190D+01 -0.218778D+01  0.428810D+00  0.603872D+00
      3  -0.151032D+01  0.213367D+00  0.428810D+00 -0.756672D+00 -0.874920D+00
               161           162           163           164           165 
      1   0.603872D+00 -0.874920D+00 -0.316157D+00  0.601526D+00  0.237113D+00
      2   0.717933D+00 -0.278613D+00  0.601526D+00 -0.690143D+00 -0.127661D+00
      3  -0.278613D+00  0.125633D+00  0.237113D+00 -0.127661D+00  0.172288D+00
               166           167           168           169           170 
      1   0.263506D+01  0.899812D+00 -0.115095D+00  0.804759D+00  0.436593D-01
      2   0.899812D+00  0.962997D+01  0.972172D+00  0.436593D-01  0.231306D+01
      3  -0.115095D+00  0.972172D+00  0.166733D+01  0.134196D+00  0.100257D+01
               171           172           173           174           175 
      1   0.134196D+00  0.104130D+02  0.117284D+01 -0.156019D+01 -0.317348D-02
      2   0.100257D+01  0.117284D+01  0.130534D+01  0.274262D+00  0.373218D+01
      3   0.321020D+00 -0.156019D+01  0.274262D+00 -0.430366D-01  0.174458D+00
               176           177           178           179           180 
      1   0.373218D+01  0.174458D+00 -0.332809D+01 -0.244598D+00  0.213833D+01
      2  -0.571159D+01 -0.672130D+00 -0.244598D+00 -0.841354D+00  0.120188D+00
      3  -0.672130D+00 -0.117272D+01  0.213833D+01  0.120188D+00 -0.685632D+00
               181           182           183           184           185 
      1   0.763122D+00 -0.120351D+01 -0.669362D+00 -0.251076D+01  0.256022D+01
      2  -0.120351D+01  0.688600D+00  0.128675D+00  0.256022D+01 -0.109382D+02
      3  -0.669362D+00  0.128675D+00  0.252108D+00  0.156445D+00 -0.108670D+01
               186           187           188           189           190 
      1   0.156445D+00 -0.142783D+01  0.498482D+00  0.484383D+00  0.261003D-02
      2  -0.108670D+01  0.498482D+00 -0.219160D+01 -0.143624D+01  0.328432D+00
      3  -0.119713D+01  0.484383D+00 -0.143624D+01  0.115479D+00  0.121698D+01
               191           192           193           194           195 
      1   0.328432D+00  0.121698D+01  0.950742D+00  0.249312D+00 -0.242789D-01
      2   0.170036D-01  0.706424D-01  0.249312D+00 -0.994407D+00  0.101575D+01
      3   0.706424D-01 -0.251489D+00 -0.242789D-01  0.101575D+01  0.371806D+00
               196           197           198           199           200 
      1   0.236483D+01 -0.185868D+00  0.941016D+00 -0.107632D+01 -0.477775D+00
      2  -0.185868D+00  0.167358D+01 -0.149497D+01 -0.477775D+00 -0.544828D+00
      3   0.941016D+00 -0.149497D+01  0.104276D+02  0.683017D+00  0.262945D+00
               201           202           203           204           205 
      1   0.683017D+00 -0.400101D+00 -0.250532D+00  0.143235D+00  0.259330D+01
      2   0.262945D+00 -0.250532D+00 -0.891869D+00  0.584346D+00  0.123405D+01
      3  -0.715566D+00  0.143235D+00  0.584346D+00 -0.666040D+00 -0.205295D+01
               206           207           208           209           210 
      1   0.123405D+01 -0.205295D+01 -0.942465D-01  0.139665D+01  0.979991D-01
      2   0.301957D+01 -0.225840D+01  0.139665D+01 -0.736308D+00 -0.123445D+00
      3  -0.225840D+01  0.743135D+01  0.979991D-01 -0.123445D+00  0.673664D+00
               211           212           213           214           215 
      1   0.428935D+01 -0.126452D+01 -0.308984D+00  0.365641D+00 -0.219214D+00
      2  -0.126452D+01  0.689703D+01  0.134365D-01 -0.219214D+00  0.458333D+00
      3  -0.308984D+00  0.134365D-01  0.136611D+01  0.322982D+00  0.217796D+00
               216 
      1   0.322982D+00
      2   0.217796D+00
      3  -0.175188D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.108405D+01  0.294166D-01 -0.633576D+00 -0.170102D+01  0.207867D+01
      2   0.929732D+00 -0.192697D+00  0.164204D+01  0.901235D+00  0.181384D+01
      3  -0.128785D+01  0.634460D+00 -0.759650D+00  0.580401D+01 -0.774861D+00
                 6             7             8             9            10 
      1   0.154711D+01  0.673343D+00  0.452612D+01 -0.963403D+01 -0.732023D+00
      2   0.461337D+00 -0.269009D+01  0.141035D+00 -0.607110D+01 -0.284186D+01
      3  -0.157887D+00 -0.672525D+00 -0.194296D+01 -0.126982D+01 -0.324655D+01
                11            12            13            14            15 
      1  -0.217457D+01 -0.111051D+01 -0.166660D+00 -0.152490D+01 -0.205654D+01
      2  -0.368853D+00 -0.521005D+00  0.553703D+00 -0.124524D+01 -0.165795D+01
      3  -0.477453D+01 -0.954804D-01  0.783734D+00  0.210486D+01  0.234852D+01
                16            17            18            19            20 
      1  -0.103804D+01  0.226983D+01 -0.878115D+00 -0.192716D+01 -0.130293D+00
      2  -0.444504D+01 -0.903711D+00  0.144125D+02 -0.252271D+00  0.139088D+01
      3  -0.124709D+01  0.209927D+01  0.823208D+00  0.202772D+01 -0.363971D+01
                21            22            23            24            25 
      1   0.115348D+01 -0.129755D+01 -0.174722D+01 -0.895938D+00  0.933241D+00
      2  -0.360791D+00  0.431117D+00  0.114898D+01 -0.550861D+00 -0.463250D+01
      3   0.195819D-01  0.235170D+01 -0.410719D+01 -0.160502D+01  0.213884D+01
                26            27            28            29            30 
      1   0.224329D+01  0.601464D+01 -0.183980D+01  0.743289D+00  0.140908D+01
      2   0.220230D+00 -0.559361D+01 -0.209547D+01  0.118216D+01 -0.250206D+01
      3  -0.102168D+01 -0.508656D+00 -0.735338D+01 -0.903297D+01  0.396696D+00
                31            32            33            34            35 
      1  -0.474703D+00  0.240104D+00 -0.342737D+00 -0.188055D+00  0.328452D+01
      2  -0.654161D+00 -0.111747D+01 -0.337206D+01 -0.521816D+01  0.733912D+00
      3  -0.526438D+01  0.641842D+01  0.193113D+01  0.100397D+01  0.999005D+00
                36            37            38            39            40 
      1   0.485352D+01  0.219614D+01 -0.331321D+00 -0.128277D+01  0.385499D+00
      2   0.163760D+02  0.104561D+01  0.271386D+00  0.123712D+02 -0.233049D+00
      3   0.685573D+00 -0.399984D+01 -0.228107D+01 -0.164369D+01  0.198501D+02
                41            42            43            44            45 
      1   0.832506D+00 -0.536391D+01  0.185025D+01  0.265571D+01  0.604510D+00
      2  -0.207735D+00  0.812671D+00 -0.783280D+01 -0.138499D+01  0.125659D+01
      3   0.215509D+01  0.190024D+00 -0.559274D+01 -0.537168D+00 -0.372418D+00
                46            47            48            49            50 
      1  -0.721419D-01  0.257453D+00 -0.964822D+00 -0.795224D+00  0.224927D+00
      2   0.788753D+00  0.147368D+00 -0.533584D+01 -0.511400D+00  0.189760D+01
      3   0.849494D+01  0.531113D+01  0.593019D+00 -0.507034D+00 -0.137683D+01
                51            52            53            54            55 
      1  -0.839492D+00 -0.201566D+01  0.325799D+01  0.987976D+01 -0.531048D+01
      2   0.313073D+01 -0.400269D+01 -0.165313D+01 -0.166049D+02 -0.396929D+01
      3  -0.219715D+01  0.273631D+01 -0.253985D+01  0.207636D+00  0.156271D+02
                56            57            58            59            60 
      1   0.220310D+01 -0.207705D+01  0.271820D+01 -0.440169D+01 -0.672111D+01
      2   0.318972D+01  0.128262D+01  0.101803D+01 -0.259674D+01 -0.167557D+00
      3  -0.576195D+01  0.337004D+01  0.427208D+01  0.963809D+01  0.401976D-01
                61            62            63            64            65 
      1  -0.148937D+01  0.142005D+01 -0.389173D+01  0.127828D+01  0.272011D-02
      2  -0.535736D+01 -0.131267D+00 -0.146320D+01  0.965592D+00 -0.422831D+00
      3   0.730750D+01  0.159605D+01  0.209385D+01  0.373839D+00 -0.173014D+01
                66            67            68            69            70 
      1  -0.425567D+00  0.836504D-01  0.141435D+01 -0.902275D+00 -0.290512D+00
      2   0.101018D+01 -0.312507D+00  0.547936D+00 -0.167080D+00 -0.438348D+01
      3  -0.125145D+01  0.677524D+00  0.248017D+00 -0.786965D+00 -0.280075D+01
                71            72            73            74            75 
      1   0.375408D+01  0.106963D+02 -0.844600D+00  0.526241D+00  0.166482D+01
      2  -0.572885D+00  0.611557D+01  0.804298D+01  0.225589D+01  0.441809D+01
      3  -0.125261D+01  0.103477D+01  0.130279D+02 -0.146161D+01 -0.138282D+01
                76            77            78            79            80 
      1  -0.175907D+01 -0.273653D-01 -0.316416D+01  0.165735D+01  0.383355D+01
      2   0.237034D+01  0.352671D+01 -0.421794D+01 -0.197102D+01 -0.229941D+01
      3   0.767233D+01  0.154316D+02 -0.306419D+01 -0.192233D+01 -0.715827D+01
                81            82            83            84            85 
      1   0.696865D+00  0.148350D+00  0.247005D+00  0.203850D-01  0.602115D+00
      2   0.408523D+01 -0.200544D+01 -0.172656D+00  0.102492D+01  0.496521D-01
      3   0.147912D+01  0.821981D+00 -0.561717D+00  0.151815D+00  0.160456D+01
                86            87            88            89            90 
      1  -0.466254D+00 -0.160353D+01  0.328051D+00  0.455392D+01 -0.105460D+01
      2  -0.202899D+01  0.976766D+00 -0.329083D+01  0.307779D+00 -0.148445D+02
      3  -0.565354D+00  0.158202D+01  0.312282D+00  0.353934D+01  0.453754D-01
                91            92            93            94            95 
      1  -0.869601D+00  0.259204D+00  0.360731D+00  0.245443D+00 -0.120271D+01
      2   0.143040D+01  0.104113D+00  0.440773D+00  0.428596D+00  0.274676D+00
      3  -0.295232D+00 -0.117797D+01  0.900641D+00  0.121011D+01  0.198859D+00
                96            97            98            99           100 
      1  -0.667116D+00 -0.581107D+00  0.450699D+01 -0.717631D+01  0.224918D+01
      2  -0.575519D+00 -0.475889D+01  0.443996D+00  0.583914D+01 -0.187967D+01
      3  -0.496451D+00  0.139047D+01 -0.141023D+01 -0.614122D-01  0.897335D+01
               101           102           103           104           105 
      1  -0.238970D-02 -0.209902D+01  0.130541D+01  0.598556D+01 -0.249257D+01
      2  -0.705587D+00  0.618185D+01  0.472306D+00 -0.310848D+01  0.654954D+00
      3  -0.108938D+02 -0.156127D+01 -0.322072D+00  0.140523D+02  0.348793D+01
               106           107           108           109           110 
      1  -0.193723D+01  0.462334D+01  0.262722D+01  0.182984D+01 -0.380405D+00
      2  -0.175840D+01  0.775447D+00 -0.212594D+01  0.336140D+01 -0.651887D+00
      3  -0.489513D+01  0.624467D+01  0.110954D+01  0.513035D+01  0.454524D+01
               111           112           113           114           115 
      1   0.247399D+01 -0.194727D+01  0.873606D+01 -0.638891D+00 -0.138814D+01
      2   0.615988D+00  0.181563D+00  0.415742D+01 -0.260539D+01 -0.481243D+01
      3  -0.120027D+01  0.135580D+02 -0.155020D+02 -0.399688D+01 -0.337610D+01
               116           117           118           119           120 
      1   0.383716D+01 -0.150883D+02 -0.486127D+00  0.102307D+00  0.686300D+00
      2   0.342465D+01 -0.201945D+02 -0.130438D+01 -0.504171D+00  0.201689D+01
      3  -0.507972D+01 -0.321277D+01  0.591941D+00 -0.145787D+00  0.117171D+01
               121           122           123           124           125 
      1  -0.114320D+00 -0.115017D+01 -0.791680D+00  0.456282D+00  0.404360D+01
      2  -0.103531D-02 -0.140339D+01 -0.128234D-01 -0.417640D+01 -0.601596D+00
      3   0.225153D+01 -0.109510D+01  0.158712D+01  0.235544D+01  0.275172D+01
               126           127           128           129           130 
      1  -0.478434D+01 -0.582450D+00 -0.123793D+01  0.843675D+00  0.276033D+00
      2  -0.124024D+02 -0.219011D+00 -0.536772D+00  0.445671D+01  0.104992D+01
      3  -0.468779D+00  0.514026D+01 -0.690614D+01  0.599474D+00  0.714073D+01
               131           132           133           134           135 
      1   0.396368D+00 -0.548511D+01  0.423611D+01  0.416043D+01 -0.165270D+02
      2   0.754425D-01  0.737878D+00 -0.372559D+01 -0.215993D+01  0.146381D+02
      3  -0.783631D+01  0.213875D+00 -0.367769D-02  0.824195D-01 -0.969708D+00
               136           137           138           139           140 
      1  -0.155485D+01 -0.523474D-02 -0.298589D+00  0.866086D+00 -0.143542D+01
      2   0.212737D+01 -0.784897D-01  0.922795D+00  0.161235D+00  0.118493D+01
      3  -0.835681D+00 -0.139552D+01  0.188273D+01  0.838513D+00  0.106614D+01
               141           142           143           144           145 
      1  -0.834836D+00 -0.676558D+00  0.334648D+01 -0.103614D+02  0.417260D+01
      2  -0.626004D-01 -0.376962D+01  0.153962D+01  0.136770D+02  0.364706D+01
      3  -0.169439D+01  0.364380D+01 -0.211710D+01  0.626229D+00 -0.160421D+02
               146           147           148           149           150 
      1  -0.203956D+01  0.438448D+01 -0.147392D+01  0.168837D+01 -0.248030D+01
      2  -0.218929D+01  0.309857D+01 -0.166715D+01  0.130064D+01 -0.179615D+01
      3   0.257529D+01 -0.253588D+01  0.544896D+01 -0.285293D+01  0.347268D+00
               151           152           153           154           155 
      1   0.254595D+01 -0.120630D+01  0.100282D+01  0.119488D+01  0.639175D+00
      2   0.111931D+01 -0.136741D+01  0.804506D+00 -0.463953D+01 -0.215385D+01
      3  -0.481684D+01  0.665227D+00 -0.141620D+01 -0.116045D+02 -0.999965D+01
               156           157           158           159           160 
      1  -0.260414D+00  0.967967D+00  0.272293D+00 -0.404207D+00 -0.321524D+00
      2   0.527722D+01 -0.308129D+01 -0.231073D+01  0.323079D+01  0.264288D+01
      3   0.124954D+01 -0.748042D+01 -0.111042D+02  0.176613D+01  0.285883D+01
               161           162           163           164           165 
      1   0.670937D+00  0.278393D+00 -0.442755D+00  0.587243D+00  0.145312D+00
      2   0.138296D+01 -0.895912D+00  0.658544D+00 -0.379714D+00 -0.110811D+00
      3   0.353044D+01 -0.126302D+01 -0.385819D+01  0.341023D+01  0.107038D+01
               166           167           168           169           170 
      1   0.199905D+00 -0.443925D+01 -0.451828D+01 -0.190439D+00 -0.205680D+01
      2  -0.400878D+00  0.177861D+01  0.239336D+01 -0.786359D+00  0.162301D+01
      3   0.633785D+01 -0.195298D+02 -0.266897D+01  0.246360D+01 -0.519272D+01
               171           172           173           174           175 
      1  -0.110185D+01 -0.112149D+01 -0.949969D+00 -0.190497D+01  0.907843D+00
      2   0.516923D+00 -0.413902D+01 -0.861763D+00  0.877256D+01  0.290807D+00
      3  -0.162775D+01 -0.105625D+02 -0.161193D+02  0.159748D+01 -0.116869D+02
               176           177           178           179           180 
      1   0.160790D+01 -0.431321D+01  0.235133D+01  0.460299D+01  0.440491D+00
      2  -0.170248D+01 -0.180000D+01  0.190244D+01  0.286800D+00 -0.401208D+01
      3   0.235273D+02  0.133378D+01  0.218841D+01  0.474811D+01 -0.238923D+01
               181           182           183           184           185 
      1  -0.167721D+01  0.606304D+00  0.784926D+00  0.105352D+01 -0.579987D+01
      2  -0.161066D+01  0.634744D+00  0.164075D+01  0.527439D+00 -0.269745D+01
      3   0.193787D+01 -0.109273D+01  0.732325D+00  0.920316D+00  0.227070D+02
               186           187           188           189           190 
      1  -0.521685D+01  0.106379D+01 -0.206236D+01 -0.611257D+00  0.210936D+01
      2  -0.319248D+01  0.520039D+00 -0.338475D+01  0.978052D-01  0.365921D+01
      3   0.246939D+01  0.206040D+01  0.430235D+01  0.269932D+01 -0.291346D-02
               191           192           193           194           195 
      1  -0.593759D-02 -0.210333D+00 -0.675514D-01  0.916859D+00  0.368788D+00
      2  -0.508994D-01 -0.155251D-01 -0.778109D+00  0.261552D+01  0.808340D+00
      3  -0.145853D+01 -0.172446D+01 -0.110452D+01  0.174824D+01 -0.215735D+01
               196           197           198           199           200 
      1   0.750338D+00  0.261725D+01  0.145376D+02  0.143053D+01  0.722982D+00
      2  -0.311641D+01 -0.316999D+01  0.239223D+02 -0.206842D+01 -0.838489D+00
      3  -0.294716D+01 -0.380320D+01  0.302893D+01  0.102163D+01 -0.258479D+00
               201           202           203           204           205 
      1  -0.173939D+01  0.315954D+00  0.202615D+01 -0.120354D+01 -0.533857D+01
      2   0.154257D+01 -0.639161D+00 -0.142750D+01  0.149199D+01  0.221967D+01
      3  -0.104232D+01  0.363821D+00 -0.871011D+00  0.943408D+00 -0.332132D+01
               206           207           208           209           210 
      1  -0.294254D+01  0.186629D+02 -0.232532D+00  0.331173D+00 -0.920171D+00
      2   0.491002D+01 -0.165499D+02  0.259904D-01  0.997394D-01  0.631318D+00
      3   0.338532D+01  0.263637D+00 -0.477670D+01  0.540472D+01  0.295746D+00
               211           212           213           214           215 
      1   0.212042D+00 -0.339333D+01  0.519394D+00 -0.694360D+00  0.870291D+00
      2  -0.157208D+00 -0.476096D+00  0.547960D+01 -0.228637D+00  0.114196D+01
      3   0.783178D+01 -0.329826D+02  0.244328D+00  0.113582D+01 -0.188842D+01
               216 
      1  -0.201217D-01
      2  -0.643423D+00
      3  -0.537422D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.215118D+01 -0.852659D+01 -0.392172D+00 -0.562728D+01  0.136946D+02
      2   0.251966D+01  0.117925D+02 -0.833688D+00  0.699701D+01 -0.264145D+02
      3  -0.467084D+01 -0.326593D+01  0.122586D+01 -0.136974D+01  0.127199D+02
      4  -0.428613D+01 -0.219063D+01 -0.799114D+00 -0.101939D+02  0.101328D+02
      5   0.189729D+01 -0.145413D+01 -0.391020D+00 -0.403639D+01  0.174473D+01
      6   0.100258D+01  0.218209D+01  0.142563D+01  0.304252D+01 -0.776527D+01
                 6             7             8             9            10 
      1   0.266029D+01  0.161212D+01  0.431305D+01  0.124836D+02 -0.235680D+02
      2  -0.790173D+00 -0.303438D+00 -0.121811D+02  0.511644D+01  0.116399D+02
      3  -0.187012D+01 -0.130868D+01  0.786807D+01 -0.176000D+02  0.119281D+02
      4   0.261627D+01 -0.261766D+01  0.394844D+01  0.795773D+00  0.121837D+02
      5   0.150883D+01  0.107218D+01  0.173036D+01 -0.133633D+02 -0.869405D+01
      6  -0.106854D+02  0.804380D-01 -0.458787D+01  0.261172D+02  0.377747D+00
                11            12            13            14            15 
      1   0.563642D+01 -0.175257D+01  0.127694D+02  0.825018D+01  0.162904D+01
      2  -0.107849D+00  0.424303D+01 -0.763363D+01 -0.265579D+01 -0.211194D+01
      3  -0.552857D+01 -0.249046D+01 -0.513574D+01 -0.559438D+01  0.482907D+00
      4  -0.527242D+01  0.118242D+01  0.653341D+01 -0.549704D+01 -0.216659D+01
      5   0.112346D+01 -0.735306D+01  0.363711D+01 -0.319901D+00 -0.278626D+01
      6  -0.272904D+01  0.271834D+01 -0.150759D+01  0.650021D+00  0.609455D+00
                16            17            18            19            20 
      1  -0.125756D+02  0.288751D+01  0.612123D+01 -0.919226D+01  0.131126D+01
      2   0.402535D+01 -0.222479D+01  0.106568D+02  0.168403D+01 -0.794159D+01
      3   0.855028D+01 -0.662712D+00 -0.167780D+02  0.750824D+01  0.663033D+01
      4   0.693795D+01 -0.371577D+01 -0.230999D+01 -0.789180D+01 -0.115180D+02
      5  -0.419052D+01 -0.217805D+01  0.370176D+02  0.328045D+01  0.202654D+01
      6   0.382836D+00  0.810332D-01  0.122327D+01 -0.257907D+00  0.231875D+01
                21            22            23            24            25 
      1  -0.132083D+01 -0.890006D+01 -0.381670D+01 -0.260144D+01  0.423465D+01
      2  -0.165690D+01  0.164503D+01  0.271835D+01  0.372934D+00  0.824929D+00
      3   0.297772D+01  0.725504D+01  0.109836D+01  0.222851D+01 -0.505958D+01
      4   0.951986D+00 -0.122930D+02 -0.310448D+01  0.240459D+00  0.456368D+01
      5  -0.610871D+01  0.249607D+01  0.698071D+00 -0.183793D+01 -0.592057D+00
      6  -0.328283D+01  0.306990D+00  0.390388D+01 -0.244155D+01 -0.991105D+00
                26            27            28            29            30 
      1   0.463317D+00  0.869553D+01 -0.115489D+02  0.127373D+02 -0.568612D+01
      2   0.171650D+01  0.117075D+02  0.447599D+01 -0.104540D+02  0.243438D+00
      3  -0.217981D+01 -0.204030D+02  0.707294D+01 -0.228330D+01  0.544269D+01
      4   0.483066D+01 -0.231672D+00 -0.204036D+01 -0.896782D+01  0.287674D+01
      5  -0.954308D-01 -0.143291D+02 -0.476708D+01  0.165652D+01 -0.105014D+02
      6   0.212343D+01 -0.154548D+02  0.417835D+01 -0.676915D+00 -0.396638D+00
                31            32            33            34            35 
      1   0.821645D+01  0.632660D+01 -0.404712D+01 -0.362400D+01 -0.870307D+00
      2  -0.534921D+01 -0.592442D+01  0.140214D-01 -0.221714D+01  0.256593D+01
      3  -0.286724D+01 -0.402184D+00  0.403310D+01  0.584114D+01 -0.169562D+01
      4  -0.841173D+01 -0.165168D+02 -0.199225D+01  0.183767D+01 -0.270034D+01
      5   0.179742D+00 -0.102626D+01 -0.619200D+01 -0.438208D+01  0.312805D-01
      6  -0.860346D+00  0.194181D+01 -0.355590D+01  0.942400D+00 -0.114339D+01
                36            37            38            39            40 
      1   0.925543D+01  0.500304D+01 -0.267844D+01 -0.621570D+00  0.804244D+00
      2   0.971671D+01 -0.194812D+01  0.235457D+01 -0.367906D-01  0.417411D+00
      3  -0.189721D+02 -0.305493D+01  0.323870D+00  0.658360D+00 -0.122166D+01
      4   0.600018D+00 -0.324883D+01  0.204638D+02 -0.155359D+01  0.175042D+02
      5   0.313856D+02  0.189287D+01  0.993276D-01  0.238756D+02 -0.172857D+01
      6  -0.122868D+02 -0.176053D+01  0.216593D+01  0.296089D+01 -0.290692D+00
                41            42            43            44            45 
      1  -0.188340D+02  0.495011D+01  0.128481D+01  0.411436D+01 -0.101443D+02
      2   0.256960D+02 -0.144034D+01 -0.228348D+01 -0.467875D+01 -0.211978D+01
      3  -0.686194D+01 -0.350977D+01  0.998671D+00  0.564394D+00  0.122641D+02
      4   0.339048D+01 -0.304822D+00 -0.855214D+01 -0.256320D+00 -0.144898D+01
      5  -0.935549D+00  0.239109D+01  0.657551D+01 -0.149264D+00  0.223827D+01
      6  -0.430774D+01  0.760604D+01 -0.865033D+00  0.945807D+01  0.118313D-01
                46            47            48            49            50 
      1  -0.138542D+02  0.238064D+01  0.470203D+01 -0.105542D+02 -0.223069D+01
      2   0.842038D+01 -0.836108D+01 -0.149072D+01  0.329081D+00 -0.705107D+01
      3   0.543380D+01  0.598045D+01 -0.321131D+01  0.102251D+02  0.928175D+01
      4   0.320231D+01 -0.251507D+02 -0.200215D+01 -0.223098D+02 -0.469157D+01
      5   0.410532D+00 -0.117480D+01 -0.145411D+02  0.110119D+01  0.487936D+00
      6  -0.942966D+00 -0.283345D+01 -0.204593D+01  0.184296D+00  0.143314D+01
                51            52            53            54            55 
      1  -0.221481D+01  0.609914D+01 -0.243562D+01  0.141774D+02 -0.279877D+01
      2  -0.472030D+00  0.955309D+00  0.939838D+01  0.104732D+02 -0.520177D+01
      3   0.268684D+01 -0.705445D+01 -0.696276D+01 -0.246506D+02  0.800054D+01
      4   0.125381D+01  0.360485D+01  0.301386D+01  0.810501D+00  0.228290D+02
      5   0.450422D+01 -0.326499D+01 -0.117893D+01 -0.322307D+02 -0.358302D+01
      6  -0.350661D+01  0.209050D+00 -0.274341D+01 -0.264658D+02  0.852082D+01
                56            57            58            59            60 
      1   0.336213D+00 -0.284087D+01  0.320097D+01 -0.366454D+02 -0.694270D+01
      2   0.594705D+01  0.684297D+00 -0.648767D+00  0.550570D+02  0.570094D+01
      3  -0.628326D+01  0.215657D+01 -0.255220D+01 -0.184116D+02  0.124176D+01
      4  -0.495587D+01  0.754597D+01  0.344753D+01 -0.144398D+02 -0.512509D+01
      5   0.158170D+01  0.526633D+01  0.238054D+01 -0.348521D+01 -0.139267D+01
      6  -0.324345D+01  0.248035D+01 -0.355706D+01  0.131969D+02  0.143876D+02
                61            62            63            64            65 
      1  -0.238378D+01 -0.108545D+02 -0.119050D+02 -0.377735D-01  0.811532D+00
      2  -0.252668D+01  0.187294D+02  0.327802D+01 -0.358620D+01 -0.951887D+00
      3   0.491046D+01 -0.787487D+01  0.862698D+01  0.362398D+01  0.140355D+00
      4   0.137424D+02 -0.124530D+02 -0.194138D+01  0.999154D+00  0.251473D+01
      5   0.525757D+01 -0.409170D+01 -0.336087D+01  0.124055D+01 -0.875306D+00
      6   0.132187D+00  0.171914D+02  0.830384D+01 -0.355776D+01 -0.651862D+00
                66            67            68            69            70 
      1   0.187706D+01  0.582680D+00 -0.511174D+01  0.346452D+01  0.245987D+01
      2  -0.693630D+00 -0.859563D+00  0.383958D+01 -0.369616D+01 -0.750250D+00
      3  -0.118343D+01  0.276883D+00  0.127216D+01  0.231642D+00 -0.170961D+01
      4  -0.285084D+01  0.253637D+01 -0.175014D+01  0.150952D+01 -0.416150D+01
      5   0.700734D+01  0.771888D-02  0.136222D+01 -0.549809D+00  0.460691D+01
      6   0.964241D+00 -0.191386D+00 -0.395160D+01  0.791132D+01 -0.301434D+00
                71            72            73            74            75 
      1   0.579014D+01 -0.187760D+02  0.230845D+02 -0.244278D+02  0.910003D+01
      2  -0.527560D+01 -0.138490D+02 -0.129660D+02  0.116639D+02 -0.858662D+01
      3  -0.514534D+00  0.326249D+02 -0.101186D+02  0.127639D+02 -0.513409D+00
      4   0.328074D+01 -0.808156D+00 -0.294975D+02  0.943390D+01  0.408374D+00
      5  -0.147965D+01  0.122766D+02  0.148706D+02  0.111189D+01  0.101541D+02
      6   0.781705D+01 -0.269393D+02 -0.284884D+01  0.113191D+01 -0.268594D+01
                76            77            78            79            80 
      1  -0.441045D+02 -0.667053D+01  0.177279D+01  0.266881D+02  0.242678D+01
      2   0.245181D+02  0.955329D+01 -0.328212D+00 -0.165401D+02 -0.167341D+01
      3   0.195863D+02 -0.288276D+01 -0.144457D+01 -0.101479D+02 -0.753365D+00
      4   0.902112D+01 -0.197009D+02  0.676401D+01 -0.256073D+01  0.985681D+01
      5  -0.618048D+00  0.720399D+01 -0.642325D+01  0.171041D+02 -0.507228D+01
      6   0.612426D+00 -0.178930D+01  0.750321D+01 -0.249526D+01  0.628437D+01
                81            82            83            84            85 
      1   0.210239D+01  0.356852D+01 -0.129703D+01 -0.475750D+01 -0.129744D+01
      2  -0.954279D+01 -0.508846D+01  0.410551D+00  0.322106D+01  0.583177D+00
      3   0.744041D+01  0.151994D+01  0.886477D+00  0.153644D+01  0.714264D+00
      4  -0.527015D+01 -0.146366D+01  0.140492D+01  0.288187D+00  0.152453D+01
      5   0.863659D+01 -0.482659D+01 -0.406191D+00  0.779772D+01 -0.610368D+00
      6  -0.154335D+01  0.282794D+00 -0.262434D-01  0.301378D+00 -0.112122D+01
                86            87            88            89            90 
      1  -0.407048D+01  0.395031D+00 -0.785779D+01  0.718383D-01 -0.147532D+02
      2   0.397203D+00  0.874252D+00  0.656147D+01  0.544760D+00 -0.176770D+02
      3   0.367328D+01 -0.126928D+01  0.129632D+01 -0.616598D+00  0.324302D+02
      4   0.197360D+01 -0.481103D+01  0.135415D+00 -0.606603D+01  0.116494D+01
      5  -0.495404D+01  0.202670D+01  0.867448D+01  0.155993D+01 -0.349582D+02
      6  -0.232036D+00  0.807106D+01 -0.120299D+00  0.508303D+01  0.159419D+01
                91            92            93            94            95 
      1   0.483567D+00 -0.442787D+00  0.210711D+01 -0.357642D+00 -0.240365D+01
      2  -0.315933D+01  0.971117D+00 -0.949457D+00  0.650261D+00 -0.903549D+00
      3   0.267576D+01 -0.528330D+00 -0.115765D+01 -0.292618D+00  0.330720D+01
      4   0.172737D+00  0.283585D+01  0.163098D+01  0.342246D+01  0.321422D+00
      5   0.204952D+01 -0.632072D-01  0.636241D+01 -0.334077D+00  0.155717D+01
      6   0.188327D+01 -0.185395D+00 -0.413925D+00  0.207382D+00  0.146812D+01
                96            97            98            99           100 
      1  -0.797440D+00  0.267939D+01 -0.224729D+01 -0.189025D+02  0.288773D+02
      2   0.244081D+01 -0.224967D+01  0.335233D+01 -0.172805D+02 -0.119386D+02
      3  -0.164337D+01 -0.429717D+00 -0.110504D+01  0.361830D+02 -0.169387D+02
      4   0.184309D+01  0.304500D+01  0.324670D+01  0.894194D+00  0.234428D+02
      5  -0.770150D+00  0.578792D+01  0.531960D+00  0.141632D+02 -0.435304D+01
      6   0.686495D+01  0.841081D+00  0.523851D+01  0.155541D+02 -0.316929D+01
               101           102           103           104           105 
      1  -0.360631D+01 -0.210152D+01  0.294219D+00  0.158301D+02  0.663949D+01
      2   0.118720D+02  0.360469D+01  0.459946D+01 -0.168524D+02 -0.679324D+01
      3  -0.826564D+01 -0.150317D+01 -0.489367D+01  0.102236D+01  0.153750D+00
      4   0.252386D+02 -0.232498D+01  0.204516D+02 -0.284881D+01 -0.468874D+01
      5  -0.538275D+00  0.120878D+02 -0.101742D+01 -0.670137D+01  0.104297D+01
      6  -0.272290D+00  0.377857D+01 -0.503201D+00 -0.954112D+01  0.700891D+01
               106           107           108           109           110 
      1  -0.699318D+01  0.796509D+01 -0.146219D+01 -0.163102D+02 -0.123321D+02
      2   0.259449D+01 -0.130469D+02 -0.581663D+01  0.128326D+02  0.562284D+01
      3   0.439869D+01  0.508184D+01  0.727882D+01  0.347762D+01  0.670922D+01
      4  -0.791257D+01 -0.116319D+02  0.482370D+01 -0.140718D+02  0.286743D+00
      5   0.108166D+02  0.267878D+01 -0.374185D+01  0.131337D+02 -0.295139D+01
      6   0.584335D+01  0.671135D+01 -0.508635D+01 -0.756698D+01  0.495363D+01
               111           112           113           114           115 
      1   0.273455D+01 -0.334111D+02  0.130062D+02  0.190970D+01  0.227114D+02
      2  -0.537045D+01  0.251604D+02 -0.339989D+02 -0.882830D+01 -0.995082D+01
      3   0.263590D+01  0.825074D+01  0.209927D+02  0.691860D+01 -0.127605D+02
      4  -0.621796D+01 -0.864967D+01  0.385355D+02  0.719676D+01 -0.220172D+01
      5  -0.361229D+01  0.209439D+01  0.736375D+01 -0.545522D+01 -0.247956D+01
      6  -0.524096D+01  0.696742D+00 -0.476883D+01 -0.160371D+01  0.767463D+00
               116           117           118           119           120 
      1   0.166354D+01  0.182954D+02  0.283007D+01 -0.204905D+01 -0.251445D+01
      2  -0.656867D+01  0.704712D+01 -0.431912D+01  0.126265D+01  0.192974D+01
      3   0.490513D+01 -0.253426D+02  0.148905D+01  0.786396D+00  0.584712D+00
      4   0.104818D+02  0.686550D+01 -0.245106D+01  0.290831D+01  0.117742D+01
      5   0.654430D+01 -0.431921D+02 -0.328592D+01 -0.378595D+00  0.911656D+01
      6  -0.419223D+01  0.209552D+02  0.143079D+01  0.178075D+00 -0.821020D+00
               121           122           123           124           125 
      1  -0.148361D+01 -0.432731D+01 -0.864628D+00 -0.549823D+01 -0.103853D+01
      2   0.450018D+00  0.118354D+01  0.147201D+01  0.710033D+01  0.932956D+00
      3   0.103359D+01  0.314377D+01 -0.607378D+00 -0.160210D+01  0.105570D+00
      4   0.324526D+01  0.656517D+00 -0.204554D+01  0.366734D+01 -0.307937D+01
      5   0.142248D-01 -0.306888D+01  0.719447D+00  0.829447D+01 -0.115829D+01
      6  -0.397486D+00  0.171074D+01  0.788800D+01 -0.144237D+01  0.585874D+01
               126           127           128           129           130 
      1  -0.189422D+02  0.219265D+02  0.353996D+01  0.309404D+00  0.741266D+01
      2  -0.163805D+02 -0.295240D+01  0.883084D+01  0.113346D+01  0.628008D+01
      3   0.353227D+02 -0.189741D+02 -0.123708D+02 -0.144287D+01 -0.136927D+02
      4  -0.157790D+01  0.251839D+02  0.307691D+02  0.157600D+01  0.316975D+02
      5  -0.250242D+02 -0.529046D+00  0.677219D+00  0.641560D+01  0.593411D+00
      6   0.122469D+02  0.704931D+00  0.774861D+00 -0.147021D+00  0.128253D+01
               131           132           133           134           135 
      1  -0.988096D+01  0.136334D+01 -0.938656D+00 -0.131829D+01 -0.929713D+00
      2   0.339721D+02  0.533055D+00  0.574999D+00  0.131236D+01  0.216835D+01
      3  -0.240911D+02 -0.189639D+01  0.363656D+00  0.593018D-02 -0.123864D+01
      4   0.352824D+02  0.166928D+01  0.512899D+01  0.621936D+01 -0.357956D+01
      5   0.989464D+00  0.204175D+01  0.173698D+01 -0.144140D+01  0.265765D+02
      6  -0.974032D+00  0.879593D+01 -0.248895D+01  0.344296D+01  0.276279D+02
               136           137           138           139           140 
      1  -0.173717D-01  0.793855D+00  0.361946D+01 -0.130288D+00 -0.344843D+01
      2  -0.276710D+01 -0.135295D+00 -0.139002D+01  0.115448D+01  0.143942D+01
      3   0.278447D+01 -0.658560D+00 -0.222944D+01 -0.102419D+01  0.200901D+01
      4   0.134349D+01  0.453753D+01  0.335262D+01  0.478248D+01  0.152413D+01
      5   0.379792D+01  0.673176D+00  0.800815D+01 -0.249163D+00  0.288056D+01
      6   0.366811D+01 -0.124131D+00  0.511315D+00 -0.194286D-01  0.383229D+01
               141           142           143           144           145 
      1  -0.241120D+01  0.334195D+01 -0.425859D+01 -0.198226D+02  0.105397D+02
      2   0.355499D+01 -0.384430D+01  0.255630D+01 -0.151269D+02  0.708269D+01
      3  -0.114379D+01  0.502346D+00  0.170228D+01  0.349495D+02 -0.176223D+02
      4   0.227455D+01  0.643735D+01  0.621806D+01  0.364360D+01 -0.342431D+02
      5  -0.486865D+00  0.868400D+01  0.390035D+01  0.265456D+02  0.752373D+00
      6   0.779835D+01  0.314534D+01  0.909879D+01  0.262526D+02 -0.449862D+01
               146           147           148           149           150 
      1   0.205258D+01  0.238093D+01 -0.128919D+01 -0.242460D+01  0.981943D-02
      2  -0.165660D+02  0.686645D+00 -0.750679D+01  0.129480D+02 -0.198271D+01
      3   0.145134D+02 -0.306758D+01  0.879598D+01 -0.105234D+02  0.197289D+01
      4   0.254528D+02 -0.439621D+01  0.180928D+02 -0.151958D+02  0.220662D+01
      5   0.426151D-01  0.337040D+01  0.394629D+00  0.687634D+00 -0.278880D+01
      6   0.153347D+01 -0.687116D+01  0.154823D+01 -0.127203D+01  0.418069D+01
               151           152           153           154           155 
      1   0.207606D+01  0.111401D+01  0.360356D+00  0.556261D+02  0.166677D+02
      2   0.200366D+01 -0.479572D+01  0.136787D+01 -0.303845D+02 -0.956335D+01
      3  -0.407973D+01  0.368171D+01 -0.172823D+01 -0.252417D+02 -0.710433D+01
      4  -0.904986D+01  0.659980D+01 -0.486523D+01  0.113405D+02  0.128559D+02
      5   0.332429D+01 -0.203634D+01  0.154669D+01 -0.233362D+01 -0.147831D+01
      6  -0.463453D+01  0.417878D+01 -0.143249D+01  0.128399D+01  0.135961D+01
               156           157           158           159           160 
      1  -0.439799D+01  0.329651D+02  0.119343D+02 -0.216875D+01 -0.126303D+02
      2   0.155853D+01 -0.185623D+02 -0.539673D+01  0.887317D+00  0.739363D+01
      3   0.283946D+01 -0.144028D+02 -0.653759D+01  0.128143D+01  0.523666D+01
      4  -0.151802D+01  0.113923D+02  0.120038D+02 -0.245705D+01 -0.308942D+01
      5   0.852524D+01 -0.169999D+01 -0.256858D+01  0.466093D+01  0.706978D+01
      6  -0.402053D+00  0.106887D+01  0.547957D+00 -0.291580D+00  0.127915D-01
               161           162           163           164           165 
      1  -0.426689D+01  0.550767D+01 -0.768078D+00  0.418233D+01  0.116206D+01
      2   0.246589D+01 -0.359959D+01  0.246825D+01 -0.465130D+01 -0.100682D+01
      3   0.180101D+01 -0.190809D+01 -0.170017D+01  0.468973D+00 -0.155235D+00
      4  -0.350739D+01  0.191401D+01 -0.622999D+00  0.101587D+01  0.535099D+00
      5   0.248826D+01 -0.141944D+01  0.310190D+00 -0.407501D+00 -0.198944D+00
      6   0.627440D+00 -0.622020D+00  0.125115D+01 -0.805390D+00  0.323643D+00
               166           167           168           169           170 
      1   0.544299D+01 -0.268472D+02 -0.314725D+01  0.167671D+01 -0.701526D+01
      2  -0.332755D+00  0.460154D+02  0.550901D+01 -0.670025D+00  0.102038D+02
      3  -0.511024D+01 -0.191682D+02 -0.236175D+01 -0.100669D+01 -0.318854D+01
      4   0.898371D+01  0.284920D+02  0.284341D+01  0.182110D+01  0.661253D+01
      5  -0.663141D-01  0.421753D+01  0.457109D+01  0.782472D+00  0.327914D+01
      6   0.117246D+00  0.569939D+01  0.646718D+01  0.455306D+00  0.654295D+01
               171           172           173           174           175 
      1  -0.327274D+01  0.851496D+02  0.373888D+01 -0.581426D+01  0.269108D+01
      2   0.451147D+01 -0.500517D+02 -0.998543D+00  0.701791D+01 -0.345861D+01
      3  -0.123873D+01 -0.350979D+02 -0.274034D+01 -0.120365D+01  0.767538D+00
      4   0.283510D+01 -0.410084D+01  0.172073D+02  0.283937D+01  0.259778D+02
      5   0.780115D+00 -0.121253D+02  0.125973D+01  0.167117D+02 -0.112877D+00
      6   0.244943D+01  0.349408D+01 -0.215760D+01  0.220442D+01 -0.143419D+01
               176           177           178           179           180 
      1   0.155541D+02  0.293650D+01 -0.229828D+02 -0.196178D+00  0.755334D+01
      2  -0.228362D+01  0.122791D+01  0.139859D+02 -0.501313D+00 -0.139137D+02
      3  -0.132705D+02 -0.416441D+01  0.899685D+01  0.697491D+00  0.636034D+01
      4  -0.313199D+02 -0.460825D+01  0.120610D+01 -0.617609D+01 -0.115073D+01
      5  -0.519209D+01 -0.294168D+01  0.227761D+02  0.119631D+01 -0.823037D+01
      6   0.108912D+01  0.987215D+01 -0.246006D+01  0.524958D+01 -0.652109D+00
               181           182           183           184           185 
      1   0.351971D+01 -0.629560D+01 -0.329651D+01 -0.646638D+01 -0.208876D+02
      2   0.303519D+01  0.105586D+01  0.109393D+01 -0.416601D+01  0.491931D+02
      3  -0.655490D+01  0.523975D+01  0.220258D+01  0.106324D+02 -0.283055D+02
      4  -0.908816D+01  0.117036D+02  0.205568D+01  0.206247D+02 -0.542408D+02
      5  -0.307377D+01  0.728957D+00  0.284003D+01  0.694655D+00 -0.449330D+01
      6   0.208145D+01 -0.637898D+00 -0.116622D+01 -0.829873D-01  0.334318D+01
               186           187           188           189           190 
      1  -0.217389D+01 -0.576378D+01 -0.393606D+01 -0.402553D+01  0.106263D+01
      2   0.526341D+01  0.137056D+01  0.841169D+01  0.361794D+01 -0.438100D+01
      3  -0.308952D+01  0.439321D+01 -0.447563D+01  0.407592D+00  0.331837D+01
      4  -0.504939D+01  0.536137D+01 -0.106388D+02 -0.723358D+01  0.109546D+01
      5  -0.637999D+01  0.361049D+01 -0.726487D+01  0.605517D+00  0.618747D+01
      6   0.771016D+01 -0.202395D+01  0.828572D+01  0.242345D+01 -0.233234D+01
               191           192           193           194           195 
      1   0.132792D+01  0.825255D+01  0.563304D+01 -0.480094D+01  0.138408D+01
      2  -0.128321D+01 -0.399224D+01 -0.421794D+01  0.390228D+01 -0.245207D+01
      3  -0.447106D-01 -0.426032D+01 -0.141510D+01  0.898668D+00  0.106798D+01
      4   0.171694D+01 -0.240474D+01  0.133119D+01 -0.520762D+01  0.460204D+01
      5  -0.569732D+00  0.624586D+01 -0.165395D+00  0.489411D+01  0.189240D+01
      6  -0.928848D+00  0.931867D+00  0.289543D+00 -0.199677D+01  0.510332D+01
               196           197           198           199           200 
      1   0.107896D+02  0.478517D+01 -0.223730D+02  0.301308D+01  0.104112D+01
      2  -0.750455D+01 -0.276117D+01 -0.144584D+02 -0.166871D+01  0.966694D+00
      3  -0.328503D+01 -0.202399D+01  0.368315D+02 -0.134436D+01 -0.200781D+01
      4  -0.478438D+01  0.740480D+01 -0.746994D+01  0.526268D+01  0.343104D+01
      5   0.104779D+02 -0.744828D+01  0.499766D+02 -0.346366D+01 -0.156064D+01
      6  -0.245289D+01  0.956308D+01 -0.240280D+02 -0.290254D+01 -0.107239D+01
               201           202           203           204           205 
      1  -0.285868D+01  0.140869D+01 -0.278960D+01  0.131960D+01 -0.616711D+01
      2   0.131783D+01  0.231106D+00  0.414331D+01 -0.310035D+01  0.315524D+01
      3   0.154085D+01 -0.163980D+01 -0.135372D+01  0.178075D+01  0.301186D+01
      4  -0.358853D+01  0.236922D+01  0.376133D+01 -0.285276D+01 -0.117610D+02
      5   0.469930D+01 -0.558673D+00 -0.243866D+01  0.257802D+01  0.105810D+02
      6   0.289952D+01 -0.109031D+01 -0.293627D+01  0.404059D+01  0.886771D+01
               206           207           208           209           210 
      1   0.498590D+01 -0.510161D+01 -0.194243D+01  0.695624D+01  0.119949D+01
      2  -0.793291D+01 -0.357410D+01  0.285556D+01 -0.266562D+01 -0.272049D+00
      3   0.294702D+01  0.867571D+01 -0.913127D+00 -0.429061D+01 -0.927445D+00
      4  -0.132980D+02  0.123201D+02  0.734425D+01 -0.210728D+01 -0.430948D+00
      5   0.918368D+01 -0.308325D+02  0.528785D+00 -0.789281D+00  0.122478D+01
      6   0.116841D+02 -0.322394D+02 -0.322297D+00 -0.253433D+00  0.197352D+01
               211           212           213           214           215 
      1   0.312711D+02 -0.514891D+01 -0.195425D+01  0.221669D+01 -0.103237D+01
      2  -0.184218D+02  0.290806D+01  0.192322D+01 -0.125021D+01  0.560978D+00
      3  -0.128493D+02  0.224086D+01  0.310327D-01 -0.966476D+00  0.471393D+00
      4  -0.598187D+01  0.398335D+02  0.398928D+00 -0.798248D+00  0.180949D+01
      5  -0.239640D+01  0.109669D+01  0.100672D+02  0.277464D+01  0.186382D+01
      6   0.101636D+01 -0.947795D+00 -0.273182D+01 -0.103997D-01  0.176066D+01
               216 
      1   0.118997D+01
      2  -0.990792D+00
      3  -0.199177D+00
      4   0.121981D+01
      5  -0.174907D+01
      6   0.324250D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.189367D+01      0.481323D+01      0.160552D+02
   x         -0.156801D+01     -0.398549D+01     -0.132942D+02
   y          0.679142D+00      0.172621D+01      0.575801D+01
   z          0.816142D+00      0.207442D+01      0.691954D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119635D+03      0.177281D+02      0.197252D+02
   aniso      0.201070D+02      0.297954D+01      0.331519D+01
   xx         0.130500D+03      0.193381D+02      0.215166D+02
   yx         0.210359D+01      0.311720D+00      0.346835D+00
   yy         0.120334D+03      0.178317D+02      0.198405D+02
   zx        -0.110465D+01     -0.163692D+00     -0.182132D+00
   zy        -0.172683D+01     -0.255890D+00     -0.284716D+00
   zz         0.108071D+03      0.160144D+02      0.178185D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.111905D+03      0.165826D+02      0.184506D+02
   aniso      0.247821D+02      0.367233D+01      0.408602D+01
   xx         0.125098D+03      0.185376D+02      0.206259D+02
   yx         0.139369D+01      0.206523D+00      0.229788D+00
   yy         0.113614D+03      0.168359D+02      0.187324D+02
   zx        -0.682774D+00     -0.101177D+00     -0.112574D+00
   zy        -0.166624D+01     -0.246911D+00     -0.274725D+00
   zz         0.970024D+02      0.143743D+02      0.159935D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.44371026          1.96784477          1.65869274
     6         -1.27156801         -0.49781518          2.87341412
     6          1.47701317          1.46367566         -0.40995205
     6          0.44903672         -0.47826142         -2.28810458
     8         -0.21320724         -2.72832045         -0.96137314
     6         -2.15743786         -2.36530448          0.85152549
     8          0.70653631          3.63037366          3.43184305
     1         -2.10317343          2.87896207          0.81354230
     8         -3.23916123          0.08913851          4.60064271
     1          0.34747114         -1.33565463          3.86301181
     1          3.19818263          0.69561752          0.45044450
     8          2.05811958          3.72185250         -1.76404835
     6          2.37894135         -1.22613477         -4.29136474
     1         -1.22383986          0.30789055         -3.23060320
     8         -2.79848683         -4.70624234          1.87075796
     1         -3.86851736         -1.65322856         -0.07154406
     1         -0.52334986          4.02188174          4.72019522
     1         -3.72355592         -1.44065821          5.46724077
     1          2.66406923          4.95657344         -0.56492271
     8          2.86843851          0.76401340         -6.02556672
     1          1.62611328         -2.80779400         -5.37504958
     1          4.11806855         -1.85558424         -3.35592890
     1         -1.34031192         -5.39234557          2.73557864
     1          3.17728705          2.27377084         -5.03528220

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.189367D+01      0.481323D+01      0.160552D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.189367D+01      0.481323D+01      0.160552D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119635D+03      0.177281D+02      0.197252D+02
   aniso      0.201070D+02      0.297954D+01      0.331519D+01
   xx         0.113593D+03      0.168327D+02      0.187289D+02
   yx         0.467219D+01      0.692347D+00      0.770339D+00
   yy         0.121281D+03      0.179720D+02      0.199966D+02
   zx        -0.888726D+01     -0.131696D+01     -0.146531D+01
   zy        -0.216207D+01     -0.320385D+00     -0.356476D+00
   zz         0.124032D+03      0.183796D+02      0.204501D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.111905D+03      0.165826D+02      0.184506D+02
   aniso      0.247821D+02      0.367233D+01      0.408602D+01
   xx         0.104480D+03      0.154823D+02      0.172264D+02
   yx         0.577365D+01      0.855566D+00      0.951946D+00
   yy         0.113688D+03      0.168468D+02      0.187446D+02
   zx        -0.111893D+02     -0.165808D+01     -0.184486D+01
   zy        -0.105535D+01     -0.156387D+00     -0.174004D+00
   zz         0.117547D+03      0.174186D+02      0.193808D+02

 ----------------------------------------------------------------------
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 A SLIP OF THE FOOT YOU MAY SOON RECOVER, BUT A SLIP OF THE TONGUE
 YOU MAY NEVER GET OVER. -- BEN FRANKLIN
 Job cpu time:       0 days  2 hours 53 minutes 46.5 seconds.
 Elapsed time:       0 days  0 hours 21 minutes 50.9 seconds.
 File lengths (MBytes):  RWF=    398 Int=      0 D2E=      0 Chk=     19 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 19:37:02 2022.
